 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer04_STD_B3LYPDBJ_def2SVPD.in
 Output=22_phenylethanamine_conformer04_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-17677.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17698.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer04_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer04_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.015699000000     -1.138132000000     -0.153815000000
  C                                                 0.638227000000     -1.184978000000     -0.311533000000
  C                                                -0.141832000000     -0.032477000000     -0.189620000000
  C                                                 0.500424000000      1.172188000000      0.084373000000
  C                                                 1.881262000000      1.221600000000      0.250761000000
  C                                                 2.644485000000      0.068526000000      0.135177000000
  C                                                -1.649929000000     -0.124479000000     -0.356486000000
  N                                                -2.274918000000      1.199425000000     -0.317152000000
  C                                                -2.260426000000     -1.102776000000      0.659981000000
  H                                                -2.265656000000      1.564094000000      0.630511000000
  H                                                -1.839228000000     -0.517618000000     -1.360895000000
  H                                                -2.090423000000     -0.739339000000      1.676400000000
  H                                                -1.826100000000     -2.100418000000      0.585451000000
  H                                                -3.337367000000     -1.189506000000      0.500207000000
  H                                                -0.079749000000      2.081767000000      0.140221000000
  H                                                 2.359886000000      2.169228000000      0.463823000000
  H                                                 3.718801000000      0.107980000000      0.260806000000
  H                                                 2.599874000000     -2.043659000000     -0.258670000000
  H                                                 0.164968000000     -2.131705000000     -0.542207000000
  H                                                -3.248037000000      1.126363000000     -0.588600000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.387263   0.000000
     3  C    2.424602   1.397002   0.000000
     4  C    2.773152   2.394152   1.392402   0.000000
     5  C    2.397935   2.766393   2.420652   1.391704   0.000000
     6  C    1.391011   2.407466   2.807001   2.411980   1.387605
     7  C    3.808595   2.522367   1.520087   2.549455   3.827530
     8  N    4.888788   3.764548   2.466557   2.804369   4.194860
     9  C    4.353017   3.058232   2.521072   3.623407   4.766945
    10  H    5.123201   4.108209   2.780698   2.846587   4.178330
    11  H    4.086874   2.772059   2.118584   3.227726   4.411843
    12  H    4.513198   3.405290   2.789031   3.591793   4.653172
    13  H    4.028887   2.777682   2.777386   4.046448   4.989224
    14  H    5.393116   4.057621   3.467855   4.525390   5.754107
    15  H    3.852935   3.375084   2.140719   1.080303   2.144218
    16  H    3.382096   3.849154   3.396040   2.143751   1.082809
    17  H    2.150642   3.389579   3.889357   3.394351   2.148674
    18  H    1.082698   2.142005   3.400966   3.855780   3.381988
    19  H    2.136174   1.083271   2.150628   3.379474   3.849561
    20  H    5.746642   4.530134   3.339252   3.808668   5.198394
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.326774   0.000000
     8  N    5.067944   1.464541   0.000000
     9  C    5.070061   1.537198   2.501025   0.000000
    10  H    5.156701   2.050503   1.015448   2.667038   0.000000
    11  H    4.762928   1.095094   2.056079   2.145637   2.912227
    12  H    5.044538   2.169035   2.786951   1.092747   2.535822
    13  H    4.989308   2.196046   3.450376   1.090634   3.691055
    14  H    6.123597   2.171555   2.739318   1.092178   2.957678
    15  H    3.387420   2.753126   2.409665   3.894460   2.299252
    16  H    2.145216   4.691760   4.799151   5.664960   4.667934
    17  H    1.082356   5.409099   6.119637   6.113626   6.170144
    18  H    2.149054   4.664080   5.855306   5.035047   6.122084
    19  H    3.383470   2.712434   4.135229   2.895943   4.576257
    20  H    6.030314   2.042653   1.012908   2.739232   1.625704
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.055719   0.000000
    13  H    2.508723   1.764248   0.000000
    14  H    2.481845   1.772272   1.766623   0.000000
    15  H    3.479356   3.789630   4.553970   4.630647   0.000000
    16  H    5.308606   5.453013   5.980564   6.613706   2.462557
    17  H    5.823485   6.038952   5.977319   7.178460   4.282448
    18  H    4.821756   5.238762   4.506108   6.046181   4.935447
    19  H    2.700431   3.456543   2.288437   3.773687   4.275388
    20  H    2.298664   3.154543   3.716506   2.560611   3.388514
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477218   0.000000
    18  H    4.281122   2.480202   0.000000
    19  H    4.932321   4.276768   2.452940   0.000000
    20  H    5.800342   7.091927   6.660027   4.718661   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.41D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.015699   -1.138132   -0.153815
      2          6           0        0.638227   -1.184978   -0.311533
      3          6           0       -0.141832   -0.032477   -0.189620
      4          6           0        0.500424    1.172188    0.084373
      5          6           0        1.881262    1.221600    0.250761
      6          6           0        2.644485    0.068526    0.135177
      7          6           0       -1.649929   -0.124479   -0.356486
      8          7           0       -2.274918    1.199425   -0.317152
      9          6           0       -2.260426   -1.102776    0.659981
     10          1           0       -2.265656    1.564094    0.630511
     11          1           0       -1.839228   -0.517618   -1.360895
     12          1           0       -2.090423   -0.739339    1.676400
     13          1           0       -1.826100   -2.100418    0.585451
     14          1           0       -3.337367   -1.189506    0.500207
     15          1           0       -0.079749    2.081767    0.140221
     16          1           0        2.359886    2.169228    0.463823
     17          1           0        3.718801    0.107980    0.260806
     18          1           0        2.599874   -2.043659   -0.258670
     19          1           0        0.164968   -2.131705   -0.542207
     20          1           0       -3.248037    1.126363   -0.588600
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4178168           1.1702025           0.9286938
 Leave Link  202 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3718298430 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0347587233 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3370711197 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:44 2021, MaxMem=  5368709120 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.36D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 20:40:44 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:45 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer04_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:46 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.014162290715    
 DIIS: error= 3.09D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.014162290715     IErMin= 1 ErrMin= 3.09D-03
 ErrMax= 3.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-03 BMatP= 6.18D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.09D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.232 Goal=   None    Shift=    0.000
 GapD=    0.232 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.52D-02 MaxDP=1.01D+00              OVMax= 1.58D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.65D-02    CP:  1.58D+00
 E= -366.019984357797     Delta-E=       -0.005822067082 Rises=F Damp=F
 DIIS: error= 3.11D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.019984357797     IErMin= 2 ErrMin= 3.11D-04
 ErrMax= 3.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.79D-05 BMatP= 6.18D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.11D-03
 Coeff-Com: -0.123D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.122D-02 0.100D+01
 Gap=     0.232 Goal=   None    Shift=    0.000
 RMSDP=1.21D-03 MaxDP=5.91D-02 DE=-5.82D-03 OVMax= 3.80D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.06D-04    CP:  1.60D+00  1.04D+00
 E= -366.019950866751     Delta-E=        0.000033491046 Rises=F Damp=F
 DIIS: error= 4.61D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -366.019984357797     IErMin= 2 ErrMin= 3.11D-04
 ErrMax= 4.61D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-04 BMatP= 8.79D-05
 IDIUse=3 WtCom= 3.18D-01 WtEn= 6.82D-01
 Coeff-Com: -0.138D-01 0.572D+00 0.442D+00
 Coeff-En:   0.000D+00 0.571D+00 0.429D+00
 Coeff:     -0.438D-02 0.571D+00 0.433D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.02D-04 MaxDP=1.68D-02 DE= 3.35D-05 OVMax= 2.62D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.67D-04    CP:  1.60D+00  1.05D+00  6.49D-01
 E= -366.020086633491     Delta-E=       -0.000135766740 Rises=F Damp=F
 DIIS: error= 4.96D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.020086633491     IErMin= 4 ErrMin= 4.96D-05
 ErrMax= 4.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-06 BMatP= 8.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.571D-02 0.165D+00 0.155D+00 0.686D+00
 Coeff:     -0.571D-02 0.165D+00 0.155D+00 0.686D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.95D-05 MaxDP=8.82D-04 DE=-1.36D-04 OVMax= 7.80D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.66D-05    CP:  1.60D+00  1.05D+00  6.63D-01  9.77D-01
 E= -366.020087461386     Delta-E=       -0.000000827895 Rises=F Damp=F
 DIIS: error= 4.11D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.020087461386     IErMin= 5 ErrMin= 4.11D-05
 ErrMax= 4.11D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-06 BMatP= 1.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-02 0.169D-01 0.273D-01 0.442D+00 0.516D+00
 Coeff:     -0.156D-02 0.169D-01 0.273D-01 0.442D+00 0.516D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.08D-05 MaxDP=7.23D-04 DE=-8.28D-07 OVMax= 4.08D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.44D-06    CP:  1.60D+00  1.05D+00  6.58D-01  1.00D+00  6.27D-01
 E= -366.020088671968     Delta-E=       -0.000001210581 Rises=F Damp=F
 DIIS: error= 9.04D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.020088671968     IErMin= 6 ErrMin= 9.04D-06
 ErrMax= 9.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.12D-08 BMatP= 1.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.658D-03 0.240D-02 0.857D-02 0.229D+00 0.303D+00 0.458D+00
 Coeff:     -0.658D-03 0.240D-02 0.857D-02 0.229D+00 0.303D+00 0.458D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.73D-06 MaxDP=2.26D-04 DE=-1.21D-06 OVMax= 9.30D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.72D-06    CP:  1.60D+00  1.05D+00  6.59D-01  1.01D+00  6.75D-01
                    CP:  8.56D-01
 E= -366.020088735408     Delta-E=       -0.000000063440 Rises=F Damp=F
 DIIS: error= 1.72D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.020088735408     IErMin= 7 ErrMin= 1.72D-06
 ErrMax= 1.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-09 BMatP= 6.12D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.972D-05-0.199D-02-0.140D-02 0.178D-01 0.344D-01 0.173D+00
 Coeff-Com:  0.778D+00
 Coeff:     -0.972D-05-0.199D-02-0.140D-02 0.178D-01 0.344D-01 0.173D+00
 Coeff:      0.778D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=9.82D-07 MaxDP=2.24D-05 DE=-6.34D-08 OVMax= 1.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.02D-07    CP:  1.60D+00  1.05D+00  6.59D-01  1.01D+00  6.74D-01
                    CP:  8.69D-01  8.78D-01
 E= -366.020088737577     Delta-E=       -0.000000002169 Rises=F Damp=F
 DIIS: error= 4.28D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.020088737577     IErMin= 8 ErrMin= 4.28D-07
 ErrMax= 4.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-10 BMatP= 2.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-04-0.889D-03-0.887D-03-0.835D-03 0.368D-02 0.551D-01
 Coeff-Com:  0.339D+00 0.605D+00
 Coeff:      0.202D-04-0.889D-03-0.887D-03-0.835D-03 0.368D-02 0.551D-01
 Coeff:      0.339D+00 0.605D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.31D-07 MaxDP=1.40D-05 DE=-2.17D-09 OVMax= 5.16D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.80D-07    CP:  1.60D+00  1.05D+00  6.59D-01  1.01D+00  6.74D-01
                    CP:  8.70D-01  8.90D-01  8.15D-01
 E= -366.020088737703     Delta-E=       -0.000000000126 Rises=F Damp=F
 DIIS: error= 2.10D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.020088737703     IErMin= 9 ErrMin= 2.10D-07
 ErrMax= 2.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-11 BMatP= 1.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-04-0.331D-03-0.376D-03-0.194D-02-0.751D-03 0.161D-01
 Coeff-Com:  0.127D+00 0.353D+00 0.507D+00
 Coeff:      0.121D-04-0.331D-03-0.376D-03-0.194D-02-0.751D-03 0.161D-01
 Coeff:      0.127D+00 0.353D+00 0.507D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.30D-08 MaxDP=4.61D-06 DE=-1.26D-10 OVMax= 2.53D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.10D-08    CP:  1.60D+00  1.05D+00  6.59D-01  1.01D+00  6.75D-01
                    CP:  8.70D-01  8.93D-01  8.37D-01  8.40D-01
 E= -366.020088737742     Delta-E=       -0.000000000039 Rises=F Damp=F
 DIIS: error= 7.00D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.020088737742     IErMin=10 ErrMin= 7.00D-08
 ErrMax= 7.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-12 BMatP= 3.18D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.360D-05-0.532D-04-0.777D-04-0.916D-03-0.935D-03 0.715D-03
 Coeff-Com:  0.205D-01 0.109D+00 0.279D+00 0.592D+00
 Coeff:      0.360D-05-0.532D-04-0.777D-04-0.916D-03-0.935D-03 0.715D-03
 Coeff:      0.205D-01 0.109D+00 0.279D+00 0.592D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.08D-08 MaxDP=9.45D-07 DE=-3.91D-11 OVMax= 7.82D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.24D-08    CP:  1.60D+00  1.05D+00  6.59D-01  1.01D+00  6.75D-01
                    CP:  8.70D-01  8.96D-01  8.45D-01  8.74D-01  8.07D-01
 E= -366.020088737718     Delta-E=        0.000000000023 Rises=F Damp=F
 DIIS: error= 2.08D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -366.020088737742     IErMin=11 ErrMin= 2.08D-08
 ErrMax= 2.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-13 BMatP= 2.95D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.597D-06 0.585D-05-0.254D-05-0.266D-03-0.420D-03-0.130D-02
 Coeff-Com: -0.250D-02 0.208D-01 0.912D-01 0.300D+00 0.593D+00
 Coeff:      0.597D-06 0.585D-05-0.254D-05-0.266D-03-0.420D-03-0.130D-02
 Coeff:     -0.250D-02 0.208D-01 0.912D-01 0.300D+00 0.593D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=8.52D-09 MaxDP=2.31D-07 DE= 2.33D-11 OVMax= 2.06D-07

 SCF Done:  E(RB3LYP) =  -366.020088738     A.U. after   11 cycles
            NFock= 11  Conv=0.85D-08     -V/T= 2.0117
 KE= 3.617736200601D+02 PE=-1.697297491073D+03 EE= 5.441667111553D+02
 Leave Link  502 at Thu Aug 12 20:42:04 2021, MaxMem=  5368709120 cpu:             624.1 elap:              78.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.76687055D+02

 Leave Link  801 at Thu Aug 12 20:42:05 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 4.25D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 4.07D-01 1.02D-01.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 4.91D-02 3.93D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 2.79D-03 1.21D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 1.56D-04 2.43D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 5.51D-06 2.87D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 1.14D-07 4.08D-05.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 1.02D-09 4.15D-06.
     10 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 1.01D-11 4.83D-07.
      8 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 1.04D-13 4.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.136014D+03
      2  0.110229D+01  0.110970D+03
      3  0.245182D+01  0.442963D+01  0.727058D+02
 Isotropic polarizability for W=    0.085645      106.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.644663D+02  0.422268D+01  0.711711D+01
      2  -0.248112D+02 -0.788612D+01 -0.111539D+02
      3  -0.396552D+02  0.366344D+01  0.403684D+01
      4  -0.151220D+02  0.497638D+02  0.275759D+02
      5   0.204188D+02  0.291636D+02 -0.260594D+02
      6   0.103162D+02  0.770382D+01 -0.856608D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.866112D+00 -0.595545D+00  0.287160D+01
      2   0.124316D+02  0.116890D+02 -0.100848D+02
      3   0.114726D+01 -0.300453D+02 -0.116563D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.158771D+01  0.188578D+02  0.122295D+02
      2  -0.133017D+02  0.172597D+02  0.135958D+02
      3  -0.193447D+02 -0.745750D+02 -0.188474D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.413237D+00 -0.226449D+01 -0.189411D+01
      2  -0.226449D+01 -0.194629D+01  0.241011D+01
      3  -0.189411D+01  0.241011D+01  0.699559D+00
 OR G Eigenvalues:    -3.7179    -1.3430     4.2274  Iso=     0.2778
 Eigenvectors:
   (1)   0.326961   0.881475  -0.340731
   (2)   0.729546  -0.006247   0.683903
   (3)  -0.600715   0.472189   0.645120
 w=    0.085645 a.u., Optical Rotation Beta=      0.2778 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      108.74 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 9.94D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 4.43D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 3.07D-02 4.01D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 8.36D-04 6.08D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 9.80D-06 3.82D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 9.45D-08 5.11D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 4.84D-10 2.73D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 1.25D-12 1.49D-07.
      1 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 1.78D-15 4.23D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.53D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 3.53D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136014D+03  0.110229D+01  0.245182D+01
      2   0.110229D+01  0.110970D+03  0.442963D+01
      3   0.245182D+01  0.442963D+01  0.727058D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.866112D+00 -0.595545D+00  0.287160D+01
      2   0.124316D+02  0.116890D+02 -0.100848D+02
      3   0.114726D+01 -0.300453D+02 -0.116563D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.644663D+02  0.422268D+01  0.711711D+01
      2  -0.248112D+02 -0.788612D+01 -0.111539D+02
      3  -0.396552D+02  0.366344D+01  0.403684D+01
      4  -0.151220D+02  0.497638D+02  0.275759D+02
      5   0.204188D+02  0.291636D+02 -0.260594D+02
      6   0.103162D+02  0.770382D+01 -0.856608D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313627D+01 -0.158885D+00 -0.478651D+00 -0.599630D+01 -0.570895D+00
      2  -0.158885D+00  0.238806D+01  0.774348D+00 -0.570895D+00 -0.551801D+00
      3  -0.478651D+00  0.774348D+00  0.136471D+01 -0.935073D+00  0.878793D+00
                 6             7             8             9            10 
      1  -0.935073D+00 -0.197192D+01 -0.253111D+00  0.289975D+01  0.414799D+01
      2   0.878793D+00 -0.253111D+00  0.159465D+01 -0.337007D+01  0.199582D+01
      3  -0.164571D+01  0.289975D+01 -0.337007D+01 -0.812084D+00  0.514957D+00
                11            12            13            14            15 
      1   0.199582D+01  0.514957D+00 -0.743532D+01 -0.814143D+00  0.220761D+00
      2  -0.286792D+01  0.118775D+00 -0.814143D+00 -0.162969D+01  0.927989D+00
      3   0.118775D+00 -0.955939D+00  0.220761D+00  0.927989D+00 -0.131268D+01
                16            17            18            19            20 
      1   0.351383D-01  0.883176D+00 -0.809094D+00 -0.189775D+02 -0.292101D+01
      2   0.883176D+00  0.401439D+00 -0.324882D+01 -0.292101D+01 -0.272477D+01
      3  -0.809094D+00 -0.324882D+01 -0.239028D+01 -0.796314D+00 -0.259657D+00
                21            22            23            24            25 
      1  -0.796314D+00 -0.364459D+01  0.137436D+01  0.999893D+00 -0.846836D+00
      2  -0.259657D+00  0.137436D+01  0.985663D-01  0.992619D-02  0.945401D+00
      3  -0.167450D+01  0.999893D+00  0.992619D-02 -0.276633D+00 -0.374897D+01
                26            27            28            29            30 
      1   0.945401D+00 -0.374897D+01  0.502300D+01 -0.661543D+00  0.265402D+00
      2   0.192066D+00 -0.641565D+00 -0.661543D+00 -0.317763D+01 -0.830490D+00
      3  -0.641565D+00 -0.132688D+01  0.265402D+00 -0.830490D+00 -0.156686D+01
                31            32            33            34            35 
      1   0.898182D+01  0.204944D+00  0.112724D+00  0.312589D+01 -0.279389D+00
      2   0.204944D+00  0.173721D+01 -0.472304D+00 -0.279389D+00 -0.100013D+01
      3   0.112724D+00 -0.472304D+00  0.167664D+01 -0.171650D+01  0.357136D+01
                36            37            38            39            40 
      1  -0.171650D+01 -0.385029D+01 -0.352610D+00 -0.509208D+00  0.518554D+01
      2   0.357136D+01 -0.352610D+00  0.254142D+01 -0.214108D+00 -0.114635D+00
      3   0.875768D+00 -0.509208D+00 -0.214108D+00  0.761266D+00 -0.199196D+00
                41            42            43            44            45 
      1  -0.114635D+00 -0.199196D+00  0.166680D+00 -0.844824D+00  0.228090D+01
      2   0.853117D+00 -0.802868D+00 -0.844824D+00 -0.766710D+00  0.364412D+01
      3  -0.802868D+00  0.152118D+01  0.228090D+01  0.364412D+01  0.229982D+01
                46            47            48            49            50 
      1   0.582278D+01  0.284009D+00 -0.569687D+00  0.117209D+01 -0.683893D+00
      2   0.284009D+00  0.314226D+01  0.151743D+00 -0.683893D+00 -0.127936D+00
      3  -0.569687D+00  0.151743D+00  0.220323D+01 -0.109075D+01 -0.269440D+00
                51            52            53            54            55 
      1  -0.109075D+01 -0.403689D+00 -0.110306D+01  0.533904D+01  0.503892D+01
      2  -0.269440D+00 -0.110306D+01  0.126715D+00  0.177075D+00  0.238862D+01
      3  -0.137634D+00  0.533904D+01  0.177075D+00  0.105381D+01  0.158060D+00
                56            57            58            59            60 
      1   0.238862D+01  0.158060D+00  0.787838D+01  0.470577D+01 -0.119158D+01
      2   0.272713D+01 -0.124434D+01  0.470577D+01  0.112509D+01 -0.375118D+00
      3  -0.124434D+01  0.182676D+01 -0.119158D+01 -0.375118D+00  0.427405D+01
                61            62            63            64            65 
      1   0.230642D+00 -0.194542D+01  0.390772D+01  0.810766D+01  0.167967D+00
      2  -0.194542D+01 -0.165813D+01  0.410910D+01  0.167967D+00 -0.944858D+00
      3   0.390772D+01  0.410910D+01  0.554069D+01  0.121839D+01  0.914035D+00
                66            67            68            69            70 
      1   0.121839D+01 -0.281497D+00 -0.215607D+01  0.161726D+01  0.135693D+01
      2   0.914035D+00 -0.215607D+01  0.214169D+01 -0.132873D+01  0.163656D+01
      3   0.978925D-01  0.161726D+01 -0.132873D+01 -0.216445D+01  0.334687D+00
                71            72            73            74            75 
      1   0.163656D+01  0.334687D+00  0.936376D+01  0.103458D+01  0.167539D+01
      2  -0.131556D+01 -0.166583D+01  0.103458D+01 -0.379552D+01  0.124913D+01
      3  -0.166583D+01 -0.480013D+01  0.167539D+01  0.124913D+01 -0.179179D+01
                76            77            78            79            80 
      1  -0.310318D+01 -0.413242D+01  0.173104D+01  0.538954D+01  0.252236D+01
      2  -0.413242D+01  0.335516D+01  0.628035D+00  0.252236D+01  0.205853D+01
      3   0.173104D+01  0.628035D+00 -0.324225D+01 -0.214922D+01 -0.323787D+01
                81            82            83            84            85 
      1  -0.214922D+01  0.129484D+00  0.468894D+00  0.476772D+00  0.125644D+01
      2  -0.323787D+01  0.468894D+00  0.106340D+00 -0.279929D+00 -0.770840D+00
      3  -0.444214D+01  0.476772D+00 -0.279929D+00  0.299739D+00 -0.728801D+00
                86            87            88            89            90 
      1  -0.770840D+00 -0.728801D+00  0.204347D+01 -0.122521D+01 -0.109627D+01
      2   0.232342D+01  0.111304D+01 -0.122521D+01  0.244377D+01  0.269284D+01
      3   0.111304D+01  0.239080D+01 -0.109627D+01  0.269284D+01  0.486335D+01
                91            92            93            94            95 
      1  -0.232879D+01 -0.775670D+00 -0.171903D+01 -0.305196D+01 -0.172747D+01
      2  -0.775670D+00 -0.776760D+00 -0.251157D+00 -0.172747D+01 -0.134833D+01
      3  -0.171903D+01 -0.251157D+00 -0.147631D+01 -0.619203D+00 -0.147665D+01
                96            97            98            99           100 
      1  -0.619203D+00 -0.467944D+01 -0.513223D+00 -0.307239D+01 -0.477725D+00
      2  -0.147665D+01 -0.513223D+00 -0.150497D+01 -0.201758D+01  0.398242D-01
      3  -0.234681D+01 -0.307239D+01 -0.201758D+01 -0.770157D+01  0.669996D+00
               101           102           103           104           105 
      1   0.398242D-01  0.669996D+00  0.962993D+00  0.206969D+00 -0.487214D+00
      2   0.578860D+00 -0.158589D+00  0.206969D+00  0.301687D+00  0.949398D+00
      3  -0.158589D+00  0.105012D+01 -0.487214D+00  0.949398D+00  0.217805D+01
               106           107           108           109           110 
      1   0.103890D+01  0.907172D-01 -0.536659D+00  0.779159D+00 -0.904330D+00
      2   0.907172D-01  0.124539D+01  0.521129D+00 -0.904330D+00  0.208482D+01
      3  -0.536659D+00  0.521129D+00  0.724571D+01 -0.351054D+00 -0.487887D+00
               111           112           113           114           115 
      1  -0.351054D+00 -0.175281D+01  0.830575D+00  0.760620D-01 -0.703847D+00
      2  -0.487887D+00  0.830575D+00 -0.859785D+01  0.871588D+00 -0.334329D+00
      3   0.698221D+00  0.760620D-01  0.871588D+00 -0.116530D+01  0.302618D+00
               116           117           118           119           120 
      1  -0.334329D+00  0.302618D+00 -0.134893D+02 -0.257326D+01  0.918215D-01
      2  -0.107447D+00 -0.756596D+00 -0.257326D+01 -0.138891D+01  0.142204D+00
      3  -0.756596D+00  0.478900D+00  0.918215D-01  0.142204D+00 -0.116014D+01
               121           122           123           124           125 
      1  -0.630972D+00 -0.116911D+01 -0.245022D+00 -0.244833D+01 -0.547975D+00
      2  -0.116911D+01 -0.106334D+01 -0.658403D-01 -0.547975D+00 -0.653665D+00
      3  -0.245022D+00 -0.658403D-01  0.205460D+00 -0.111871D+01 -0.132344D-01
               126           127           128           129           130 
      1  -0.111871D+01 -0.319706D+01  0.206953D+01 -0.983980D-01  0.240612D+01
      2  -0.132344D-01  0.206953D+01 -0.223905D+01 -0.194694D+00 -0.259211D+01
      3   0.815551D-01 -0.983980D-01 -0.194694D+00 -0.169226D+00 -0.200611D+00
               131           132           133           134           135 
      1  -0.259211D+01 -0.200611D+00 -0.400248D+00 -0.767743D-01  0.275871D-01
      2   0.690873D+01  0.457300D+00 -0.767743D-01  0.325072D+00  0.155269D+00
      3   0.457300D+00  0.753215D+00  0.275871D-01  0.155269D+00 -0.474754D-01
               136           137           138           139           140 
      1   0.299596D+01  0.307036D+01  0.755586D+00  0.285393D+01  0.423470D+01
      2   0.307036D+01  0.321080D+01  0.741328D+00  0.423470D+01  0.882679D+01
      3   0.755586D+00  0.741328D+00  0.569866D+00  0.845549D+00  0.165829D+01
               141           142           143           144           145 
      1   0.845549D+00  0.770268D+00  0.983489D+00  0.328509D+00  0.136260D+02
      2   0.165829D+01  0.983489D+00  0.182951D+01  0.465920D+00  0.401603D+00
      3   0.113559D+01  0.328509D+00  0.465920D+00  0.277647D+00  0.131233D+01
               146           147           148           149           150 
      1   0.401603D+00  0.131233D+01  0.293680D+00  0.162202D+01  0.311934D+00
      2   0.771350D+00  0.240726D-01  0.162202D+01  0.157442D+00  0.161757D+00
      3   0.240726D-01  0.100716D+01  0.311934D+00  0.161757D+00  0.974360D-01
               151           152           153           154           155 
      1   0.152326D+01  0.321718D+00  0.217696D+00  0.410627D+01 -0.363174D+01
      2   0.321718D+00  0.983320D-01  0.213110D-01 -0.363174D+01  0.355625D+01
      3   0.217696D+00  0.213110D-01  0.189096D+00 -0.334212D+00  0.284239D+00
               156           157           158           159           160 
      1  -0.334212D+00 -0.348533D+01  0.459691D+01  0.644681D+00 -0.366498D+00
      2   0.284239D+00  0.459691D+01 -0.767115D+01 -0.902556D+00  0.479989D+00
      3   0.499652D+00  0.644681D+00 -0.902556D+00 -0.859051D+00  0.996283D-01
               161           162           163           164           165 
      1   0.479989D+00  0.996283D-01 -0.211749D+01 -0.191295D+01 -0.405147D+00
      2  -0.101499D+01 -0.305799D+00 -0.191295D+01 -0.201785D+01 -0.608533D+00
      3  -0.305799D+00 -0.174614D+00 -0.405147D+00 -0.608533D+00 -0.388107D+00
               166           167           168           169           170 
      1  -0.190281D+01 -0.237345D+01 -0.518918D+00 -0.541654D+00 -0.779413D+00
      2  -0.237345D+01 -0.728687D+01 -0.170173D+01 -0.779413D+00 -0.171878D+01
      3  -0.518918D+00 -0.170173D+01 -0.113954D+01 -0.140555D+00 -0.531083D+00
               171           172           173           174           175 
      1  -0.140555D+00 -0.115665D+02  0.197080D+01 -0.187701D+01  0.293763D+00
      2  -0.531083D+00  0.197080D+01 -0.117404D+01  0.129516D+00 -0.671214D+00
      3  -0.413591D+00 -0.187701D+01  0.129516D+00 -0.119575D+01 -0.343539D+00
               176           177           178           179           180 
      1  -0.671214D+00 -0.343539D+00 -0.331825D+01  0.393141D-01 -0.134977D+01
      2   0.448064D+00 -0.260875D+00  0.393141D-01 -0.575112D+00  0.430330D+00
      3  -0.260875D+00  0.576493D-01 -0.134977D+01  0.430330D+00 -0.797588D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122586D+01 -0.132620D+00  0.203863D+01 -0.145214D+01  0.396870D+00
      2  -0.753727D+00  0.236432D+01  0.229879D+01 -0.117295D+01  0.305254D+01
      3  -0.159255D+01 -0.136636D+02 -0.220964D+01  0.441196D+01 -0.156244D+01
                 6             7             8             9            10 
      1  -0.203270D+01  0.693555D+01  0.260527D+01  0.156143D+01  0.144743D+00
      2  -0.414906D+01 -0.575924D+01 -0.103788D+02 -0.269592D+01  0.288588D+01
      3  -0.202539D+01 -0.645709D+00 -0.414728D+01  0.413788D+01  0.502522D+00
                11            12            13            14            15 
      1   0.753060D+00 -0.149316D+01  0.137659D+01 -0.935012D+00 -0.227677D+01
      2   0.146485D+01 -0.564300D+00  0.174421D+01 -0.151807D+01 -0.137160D+01
      3  -0.175019D+01 -0.159702D+01  0.422570D+00  0.761268D+01  0.168555D+00
                16            17            18            19            20 
      1  -0.592140D+01  0.233293D+01 -0.120853D+01  0.831939D+00 -0.478591D+00
      2  -0.139178D+02 -0.130248D+01 -0.310312D+01  0.223382D+00 -0.160498D+01
      3  -0.494348D+01 -0.963906D+00  0.612369D+01 -0.720233D+01  0.776489D+01
                21            22            23            24            25 
      1  -0.868267D+00 -0.283036D+01 -0.136349D+01  0.775818D+00  0.137198D+01
      2  -0.139852D+01 -0.240372D+01  0.383167D+00  0.665394D+00 -0.133151D+02
      3   0.567629D+00  0.172955D+02 -0.205479D-01  0.407422D+00  0.451751D+00
                26            27            28            29            30 
      1   0.101713D+02  0.203951D+01 -0.890656D+00 -0.357244D+00  0.217636D+01
      2   0.344605D+00 -0.257025D+00  0.197433D+01 -0.236976D+00 -0.538402D+00
      3   0.356855D+01 -0.741150D+00  0.632092D+01 -0.122412D+01  0.176021D+01
                31            32            33            34            35 
      1  -0.126197D+01 -0.262830D+00 -0.214239D+01  0.522081D+01  0.256599D+01
      2   0.393303D+01  0.128420D+01  0.818409D+00 -0.134615D+02  0.610861D+00
      3   0.549416D+01 -0.569795D+01  0.267463D+00  0.225685D+01 -0.121905D+01
                36            37            38            39            40 
      1   0.700266D-01  0.100738D+01  0.774069D+00 -0.116510D+01  0.115119D+01
      2  -0.333813D+00  0.140562D+00  0.109723D+01  0.584791D+00  0.855611D+00
      3  -0.565623D+01 -0.331046D+01 -0.107701D+02 -0.210369D+01  0.558340D+01
                41            42            43            44            45 
      1  -0.908082D-01 -0.218388D+01 -0.567824D+01  0.158214D+01 -0.902453D+00
      2  -0.278598D+01  0.409310D+01 -0.786915D+01  0.970114D+01  0.358999D+01
      3  -0.148870D+01  0.164969D+01 -0.700503D+00  0.217923D+01 -0.488900D+01
                46            47            48            49            50 
      1   0.891824D-01 -0.930031D+00 -0.468061D+00 -0.126705D+01 -0.255445D+01
      2  -0.479506D-01  0.975494D-01  0.635279D+01 -0.342866D+01 -0.199597D+00
      3   0.474868D+00 -0.689305D+01  0.845737D-03  0.124386D+02  0.334674D+01
                51            52            53            54            55 
      1   0.136710D+01 -0.986036D+00  0.116594D+02  0.212165D+01 -0.223610D+01
      2  -0.350187D+00  0.841926D+01  0.616622D+00  0.194044D+01  0.211874D+01
      3   0.171990D+01  0.342975D+01  0.736930D+00  0.841716D+00  0.722139D+01
                56            57            58            59            60 
      1  -0.144579D+00  0.329397D+00 -0.224700D+01 -0.155033D+01  0.172591D+01
      2   0.235878D+01 -0.155632D+01  0.481486D+01  0.257831D+01 -0.670495D+01
      3   0.222737D+01 -0.136323D+01  0.132083D+02 -0.394110D+01  0.547203D+00
                61            62            63            64            65 
      1   0.474619D+01  0.701305D+01 -0.842624D+00 -0.281822D+01 -0.159551D+01
      2  -0.142609D+02 -0.835021D+01 -0.868234D+01  0.349222D+00 -0.133900D+01
      3  -0.167155D+01 -0.474749D+01  0.837506D+01  0.175322D+02 -0.804414D+01
                66            67            68            69            70 
      1   0.155796D+00 -0.783083D+00 -0.692423D+00 -0.579765D+00 -0.496246D+01
      2   0.339598D+01 -0.266658D+01  0.223475D+01  0.481589D+01 -0.401921D+01
      3   0.465481D+01  0.293221D+01  0.414678D+01 -0.237361D+01  0.543184D+01
                71            72            73            74            75 
      1   0.848762D+01  0.100765D+02  0.466741D+01 -0.211495D+01 -0.231646D+01
      2   0.637632D+01  0.107259D+02 -0.121719D+02 -0.525852D+01  0.628018D+01
      3  -0.131727D+01 -0.477599D+01 -0.988891D+01 -0.170605D+02  0.112573D+01
                76            77            78            79            80 
      1   0.352231D+00  0.965797D+01 -0.753373D+01 -0.133888D+01 -0.267137D+01
      2  -0.705138D+01  0.232353D+00  0.710265D+01  0.175656D+01  0.709857D+01
      3  -0.103267D+02  0.198652D+02 -0.357647D+00  0.201177D+01  0.155514D+01
                81            82            83            84            85 
      1  -0.764937D+01 -0.611977D+00  0.590573D+00 -0.206162D+00  0.129007D+01
      2   0.122686D+02 -0.191065D+01  0.948153D+00 -0.158797D+00  0.185348D+01
      3  -0.683599D+01  0.245667D+01  0.558075D+00 -0.150006D-01  0.807210D+00
                86            87            88            89            90 
      1  -0.245537D+01 -0.559184D+01  0.285926D+01 -0.334589D+01 -0.112887D+02
      2  -0.287553D+01 -0.626431D+01  0.467154D-01 -0.701671D+01 -0.114411D+02
      3   0.491474D+01  0.213839D+01  0.613970D+00  0.625679D+01  0.658201D+01
                91            92            93            94            95 
      1  -0.100047D+01  0.124772D+01 -0.467838D+00  0.126142D+01  0.636403D+00
      2   0.166863D+01  0.504394D+00  0.288529D+01 -0.271784D+00  0.138977D+01
      3  -0.174066D+01 -0.376825D+01 -0.435909D+00 -0.182355D+01 -0.156266D+01
                96            97            98            99           100 
      1  -0.134788D+01 -0.157230D+01  0.188655D+01 -0.141056D+01  0.864501D+00
      2   0.430670D+01  0.152030D+01  0.329538D+01  0.126758D+02 -0.183674D+01
      3  -0.325520D+01  0.994999D-01 -0.312786D+01 -0.440109D+01  0.808185D+00
               101           102           103           104           105 
      1   0.934010D+00  0.109166D+01  0.103410D+00  0.219199D+01  0.205297D+01
      2   0.933481D-01 -0.214208D+01 -0.119362D+00 -0.252946D+01 -0.512819D+01
      3   0.107785D+01 -0.819079D+00  0.129872D+01  0.433781D+00  0.241043D+01
               106           107           108           109           110 
      1  -0.363516D+00  0.477563D+01  0.103857D+02 -0.206987D+01  0.175407D+01
      2  -0.291651D+01 -0.201175D+01 -0.176391D+02 -0.198413D+00  0.168155D+01
      3  -0.109267D+01  0.337871D+01  0.224422D+01 -0.730368D+01  0.754903D+01
               111           112           113           114           115 
      1   0.163179D+01  0.169871D+01 -0.634193D+01 -0.335342D+01  0.840297D+00
      2  -0.976259D+00  0.152287D+01 -0.315496D+01  0.212018D+01 -0.160156D+01
      3  -0.822589D-01  0.985066D+01 -0.241186D+02  0.179939D+01  0.117125D+01
               116           117           118           119           120 
      1  -0.289849D+00  0.413986D+00 -0.585647D+00 -0.721630D+00 -0.201206D+01
      2   0.136771D+01 -0.989054D+00  0.751725D+01  0.844646D+00  0.642081D+01
      3  -0.642706D+00 -0.242433D+01  0.104943D+02 -0.423100D+01  0.603858D+00
               121           122           123           124           125 
      1  -0.454977D+00 -0.842440D+00 -0.463176D+00 -0.139835D+01  0.669125D+00
      2   0.151300D+01  0.653635D+00 -0.283433D+00  0.230244D+01 -0.148124D+00
      3   0.717801D-01 -0.223763D+01 -0.243208D+00  0.497687D+00 -0.120151D+01
               126           127           128           129           130 
      1  -0.143478D-01  0.112690D+01 -0.284709D+00  0.151321D+01 -0.478224D-01
      2   0.310330D+00  0.151015D+01 -0.974477D-01 -0.144809D+00 -0.476386D+00
      3   0.140858D+01 -0.104994D+02  0.469071D+01 -0.434771D+00  0.847999D+01
               131           132           133           134           135 
      1  -0.215791D-01 -0.322566D+01 -0.430658D+00  0.163264D+01  0.169751D+00
      2   0.879557D+00 -0.708181D+00 -0.127612D+01  0.274645D+00 -0.733558D-01
      3  -0.638498D+01 -0.761649D+00 -0.719251D+00  0.912318D-02  0.105147D+00
               136           137           138           139           140 
      1  -0.277163D+00 -0.275615D-01 -0.191563D+01 -0.143437D+00  0.469240D+00
      2   0.558505D+00  0.842606D+00  0.210076D+01  0.735551D+00  0.267503D+01
      3  -0.108648D+01 -0.317691D+01 -0.477755D+00 -0.227436D+01 -0.133710D+02
               141           142           143           144           145 
      1  -0.399492D+01  0.522853D+00  0.174778D+01 -0.551634D+00 -0.128810D+00
      2   0.344846D+01 -0.317089D+00 -0.731954D-01  0.629407D+00  0.196377D+01
      3  -0.228461D+01 -0.372038D+00 -0.266736D+01 -0.358496D+00  0.401387D+00
               146           147           148           149           150 
      1   0.414230D+00 -0.206968D+00  0.222608D+00  0.128829D-01 -0.320607D+00
      2  -0.120320D+00  0.632003D+01  0.123414D+01  0.358833D+00  0.358734D+00
      3  -0.520735D+01  0.240555D+00 -0.405871D+01 -0.229201D+00 -0.426297D+00
               151           152           153           154           155 
      1   0.717232D-01  0.418305D+00 -0.374180D-01  0.293105D+00 -0.603991D+00
      2  -0.215832D+01  0.813481D-01  0.656919D+00  0.288292D+00 -0.350057D+00
      3  -0.107824D+01 -0.493744D+00 -0.308141D+00  0.133561D+01 -0.455225D+01
               156           157           158           159           160 
      1   0.204494D+01  0.258901D+00  0.222706D+00 -0.359107D+01 -0.908735D+00
      2   0.232192D+01  0.465981D+00 -0.100275D+01 -0.320806D+01 -0.551851D+00
      3  -0.480696D-01 -0.342141D+01  0.124213D+02  0.110358D+01 -0.578521D+00
               161           162           163           164           165 
      1   0.139180D+01 -0.299447D+00  0.740454D+00  0.348296D+00 -0.158827D+01
      2   0.492416D+00 -0.332222D+00 -0.163121D+01 -0.978442D+00  0.174687D+00
      3   0.195266D+01  0.420138D+00  0.785401D+01  0.452465D+01  0.793161D+00
               166           167           168           169           170 
      1   0.698149D+00  0.103755D+01 -0.355804D+01  0.497823D+00  0.224578D+01
      2  -0.168508D+01 -0.161919D+01  0.332680D+00 -0.167323D+01 -0.494837D+00
      3   0.779017D+01  0.834569D+01  0.183216D+01  0.162321D+01  0.257538D+01
               171           172           173           174           175 
      1  -0.454798D+00  0.207916D+01  0.575385D+00  0.172620D+01  0.848470D+00
      2   0.201504D+00 -0.142201D+01 -0.974279D-01  0.469758D+01  0.603167D+00
      3   0.207410D+00 -0.133280D+02 -0.353249D+01 -0.237950D+01 -0.172083D+00
               176           177           178           179           180 
      1   0.270799D+00 -0.800645D-01  0.104445D+01  0.603216D+00  0.404999D-01
      2  -0.366044D-01  0.105782D+00  0.104387D+01 -0.103362D+01  0.132369D+01
      3   0.779471D-01 -0.109211D+01 -0.578561D+01 -0.168435D+01 -0.554555D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.285792D+01  0.210216D+02  0.443712D+01 -0.255729D+02  0.605621D+01
      2  -0.579639D+01 -0.120701D+02 -0.383929D+00  0.239709D+02 -0.110460D+02
      3   0.293848D+01 -0.895144D+01 -0.405319D+01  0.160201D+01  0.498982D+01
      4   0.189460D+02  0.872564D+00  0.409185D+01  0.466843D+01  0.134529D+02
      5   0.569754D+00  0.375093D+01  0.489129D+01 -0.382108D+01  0.742057D+01
      6   0.187919D+01 -0.274495D+01 -0.504528D+01  0.604789D+01 -0.520725D+01
                 6             7             8             9            10 
      1   0.705413D+00 -0.687905D+01  0.583521D+01  0.498400D+00  0.797424D+01
      2  -0.984069D+00  0.827370D+01 -0.806612D+01 -0.625927D+01 -0.635032D+01
      3   0.278656D+00 -0.139466D+01  0.223091D+01  0.576087D+01 -0.162392D+01
      4   0.812202D+01  0.187994D+01  0.737973D+01 -0.151862D+02 -0.122461D+02
      5  -0.858937D+01  0.178474D+02 -0.154411D+02 -0.685201D+01 -0.556520D+00
      6   0.508362D+01 -0.812837D+01  0.128052D+02 -0.151550D+01 -0.247588D+01
                11            12            13            14            15 
      1  -0.114542D+02  0.106639D+00  0.348929D+01  0.747495D+01  0.488850D+01
      2   0.921723D+01 -0.112202D+01 -0.105831D+02 -0.100984D+02 -0.596244D+01
      3   0.223699D+01  0.101538D+01  0.709377D+01  0.262346D+01  0.107395D+01
      4  -0.169155D+02 -0.408858D+01  0.115070D+02 -0.122259D+02 -0.191892D+01
      5  -0.397229D+01 -0.309073D+01  0.103779D+01 -0.211643D+01 -0.545024D+00
      6  -0.212950D+01  0.336949D+01 -0.540951D+01 -0.896012D+01  0.266537D+01
                16            17            18            19            20 
      1   0.193464D+01  0.154163D+01 -0.156492D+02 -0.222248D+02 -0.197870D+00
      2  -0.453367D+01 -0.700573D+01  0.114048D+01  0.726214D+01  0.110804D+00
      3   0.259903D+01  0.546409D+01  0.145088D+02  0.149627D+02  0.870668D-01
      4   0.239599D+00 -0.379956D+01 -0.612135D+01  0.147405D+02  0.428231D+01
      5  -0.482109D+00 -0.508779D+01 -0.523988D+01  0.992183D+00  0.403787D+00
      6   0.341997D+01  0.123294D+02  0.551467D+01 -0.940494D+00  0.706976D-02
                21            22            23            24            25 
      1   0.666444D+00  0.550539D+00 -0.602497D+01  0.290141D+00 -0.862502D+01
      2  -0.753308D+00 -0.161927D+01  0.107793D+02  0.342255D+01  0.236881D+01
      3   0.868642D-01  0.106873D+01 -0.475434D+01 -0.371269D+01  0.625621D+01
      4   0.835904D+00 -0.859598D+01 -0.250739D+01 -0.138484D+01 -0.272097D+01
      5   0.484835D+00 -0.350301D+01 -0.570964D+00  0.142384D+01  0.277992D+01
      6   0.778097D+00 -0.244476D+01  0.207699D+01 -0.117629D+01 -0.842199D+00
                26            27            28            29            30 
      1  -0.797011D+00 -0.952023D+01  0.592361D+01  0.140363D+02  0.382342D+01
      2   0.133889D+01 -0.376944D+01 -0.551848D+01 -0.103566D+02 -0.125707D+01
      3  -0.541881D+00  0.132897D+02 -0.405127D+00 -0.367970D+01 -0.256635D+01
      4  -0.342917D+01  0.289295D+01  0.522557D+01 -0.117701D+02 -0.353808D+00
      5   0.219004D+01 -0.823549D+00  0.155901D+01 -0.673885D+00 -0.691963D+00
      6   0.423653D+01 -0.343288D+01  0.292178D+01 -0.269179D+01 -0.478260D+01
                31            32            33            34            35 
      1  -0.264658D+01  0.305083D+01  0.205050D+01 -0.624719D+00  0.314538D+01
      2   0.114826D+02 -0.724166D+01 -0.172433D+01  0.296265D+01 -0.471602D+01
      3  -0.883603D+01  0.419083D+01 -0.326176D+00 -0.233793D+01  0.157064D+01
      4   0.297773D+01  0.136141D+02  0.218402D+01  0.584634D+00 -0.172434D+01
      5   0.134122D+01  0.205836D+01  0.243218D+00  0.386321D+01  0.317138D+01
      6   0.579258D+01 -0.278520D+01  0.528925D+01 -0.292797D+01  0.145074D+02
                36            37            38            39            40 
      1  -0.146069D+02  0.320697D+01 -0.195028D+02 -0.198250D+01  0.253486D+02
      2   0.330651D+01 -0.388682D+01  0.123697D+02  0.846581D+00 -0.231387D+02
      3   0.113004D+02  0.679853D+00  0.713310D+01  0.113592D+01 -0.220986D+01
      4   0.288957D+01 -0.109210D+02 -0.577499D+01 -0.527255D+01  0.522552D+01
      5  -0.124538D+01 -0.420110D+01 -0.498703D+01 -0.588741D+00 -0.530254D+00
      6   0.924954D+00 -0.570048D+01 -0.229574D+01  0.327666D+01 -0.497564D+01
                41            42            43            44            45 
      1   0.103537D+02  0.265585D+01  0.298507D+01 -0.266460D+01 -0.469326D+01
      2  -0.142887D+02 -0.543739D+01 -0.691664D+01 -0.528328D+01 -0.490214D+01
      3   0.393494D+01  0.278154D+01  0.393158D+01  0.794788D+01  0.959540D+01
      4  -0.685679D+01 -0.568489D+01 -0.524821D+01 -0.100426D+02  0.154482D+02
      5  -0.574615D+01  0.882688D+01  0.130348D+02  0.157939D+02  0.725165D+01
      6  -0.871105D+01  0.379665D+01  0.678389D+01  0.134612D+02  0.293348D+01
                46            47            48            49            50 
      1  -0.126486D+02 -0.994240D+00 -0.658569D+01  0.411437D+01 -0.200690D+02
      2   0.859099D+01  0.823331D+00  0.402060D+01 -0.224423D+01  0.167142D+02
      3   0.405757D+01  0.170909D+00  0.256510D+01 -0.187014D+01  0.335479D+01
      4  -0.198030D+01  0.231142D+02  0.131851D+01 -0.189229D+02 -0.588122D+01
      5  -0.820479D+01  0.117569D+01  0.142085D+02 -0.100324D+02 -0.269163D+01
      6   0.134372D+01  0.854380D+00  0.117349D+01 -0.267042D+01  0.304779D+01
                51            52            53            54            55 
      1  -0.625284D+01 -0.981020D+01 -0.666770D+01  0.148256D+02  0.168927D+02
      2   0.767338D+01  0.389190D+01  0.557773D+01 -0.178534D+02 -0.585527D+01
      3  -0.142054D+01  0.591830D+01  0.108997D+01  0.302779D+01 -0.110374D+02
      4  -0.346228D+01 -0.110476D+02  0.116548D+01 -0.600458D+00 -0.996585D+01
      5  -0.101857D+01  0.358219D+02  0.290669D+00  0.516535D+01 -0.370589D+00
      6  -0.293283D+01  0.233329D+00  0.435987D+01 -0.302771D+01  0.652406D-01
                56            57            58            59            60 
      1   0.902269D+00 -0.747438D+00  0.107601D+01 -0.771340D+01  0.165919D+01
      2   0.152027D+01  0.999641D+00  0.549349D+01  0.451948D+01 -0.757160D+00
      3  -0.242254D+01 -0.252203D+00 -0.656950D+01  0.319393D+01 -0.902026D+00
      4  -0.170544D+02  0.450080D+01 -0.295882D+02 -0.408611D+01  0.333146D+01
      5   0.493609D+01 -0.114892D+02  0.958747D+01  0.234821D+01 -0.177650D+02
      6   0.271518D+01 -0.195072D+01  0.444136D+01  0.645926D+01 -0.110359D+02
                61            62            63            64            65 
      1   0.124744D+02  0.605689D+01  0.745042D-01 -0.414735D+02  0.565199D+01
      2   0.231907D+01  0.296085D+01  0.889146D+01  0.249004D+02 -0.580780D+01
      3  -0.147934D+02 -0.901775D+01 -0.896597D+01  0.165731D+02  0.155816D+00
      4   0.130727D+02  0.972543D+01 -0.218919D+02  0.114519D+02  0.976460D+01
      5  -0.204246D+02 -0.200940D+02 -0.228019D+02 -0.128912D+02 -0.400689D+01
      6  -0.116521D+02 -0.492324D+01 -0.526385D+01  0.308190D+01  0.226489D+01
                66            67            68            69            70 
      1  -0.943349D+01 -0.500754D+00 -0.215077D+01 -0.644202D+00 -0.967044D+01
      2   0.634833D+01 -0.340087D+01  0.143345D+02 -0.992946D+00  0.804088D+01
      3   0.308516D+01  0.390162D+01 -0.121837D+02  0.163715D+01  0.162956D+01
      4  -0.295154D+01  0.192895D+02 -0.151011D+02  0.747282D+01 -0.836476D+01
      5   0.281190D+01 -0.111937D+02  0.667988D+01  0.924272D+01  0.860742D+00
      6  -0.709213D+00  0.243775D+01 -0.909958D+01  0.254985D+01  0.306241D+01
                71            72            73            74            75 
      1   0.102874D+01 -0.184241D+01 -0.578665D+02 -0.174932D+02 -0.191785D+01
      2  -0.271034D+01 -0.630828D+01  0.237604D+02  0.166530D+02  0.394839D+01
      3   0.168161D+01  0.815069D+01  0.341061D+02  0.840191D+00 -0.203054D+01
      4   0.932580D+01  0.906912D+01 -0.200580D+02  0.149665D+02 -0.674763D+01
      5   0.836195D+01  0.226305D+02 -0.304255D+01 -0.408607D+01  0.102913D+02
      6  -0.143809D+01 -0.162403D+02 -0.416554D+01 -0.592950D+01  0.414827D+01
                76            77            78            79            80 
      1  -0.889695D+01  0.217001D+02  0.191887D+01 -0.121633D+02 -0.185097D+00
      2   0.820489D+01 -0.251082D+02  0.634537D+01  0.558218D+01  0.250904D+01
      3   0.692067D+00  0.340810D+01 -0.826425D+01  0.658110D+01 -0.232394D+01
      4   0.193738D+02 -0.710067D+01 -0.428455D+01 -0.170283D+02 -0.104629D+02
      5  -0.909735D+01 -0.699715D+01  0.152987D+02  0.146583D+02  0.167540D+02
      6  -0.652296D+01 -0.340627D+01  0.791840D+01  0.820974D+01  0.911078D+01
                81            82            83            84            85 
      1   0.118434D+02  0.182455D+01 -0.337484D+01 -0.284643D+01 -0.472059D+01
      2   0.877614D+01 -0.646877D+00  0.116154D+01  0.594721D+00  0.101838D+01
      3  -0.206195D+02 -0.117767D+01  0.221330D+01  0.225171D+01  0.370221D+01
      4   0.200880D+02 -0.409881D+01  0.111440D+01  0.308541D+01  0.635569D+01
      5   0.165024D+02 -0.290131D+01  0.238753D+01  0.588063D+00  0.423402D+01
      6   0.207497D+00  0.203273D+01 -0.873671D+00  0.109523D+00 -0.240340D+01
                86            87            88            89            90 
      1  -0.304241D+01 -0.671646D+00 -0.688125D+01 -0.123276D+01 -0.611667D+01
      2   0.501067D+01  0.268122D+01  0.288082D+01  0.314526D+01  0.271802D+01
      3  -0.196826D+01 -0.200958D+01  0.400043D+01 -0.191250D+01  0.339865D+01
      4  -0.114105D+02 -0.637394D+01  0.930320D+01 -0.130536D+02 -0.132002D+02
      5  -0.550290D+01 -0.121868D+02  0.705816D+01 -0.133267D+02 -0.238224D+02
      6   0.530364D+01  0.997603D+01 -0.379616D+01  0.112144D+02  0.160024D+02
                91            92            93            94            95 
      1   0.513758D+01  0.148443D+01  0.418230D+01  0.838930D+00 -0.254157D+01
      2  -0.664559D+01 -0.140701D+01 -0.443739D+01 -0.258417D+01 -0.432100D+00
      3   0.150801D+01 -0.774163D-01  0.255083D+00  0.174524D+01  0.297367D+01
      4   0.484533D+01  0.725440D+01  0.253000D+01  0.105023D+02  0.635703D+01
      5   0.979980D+01  0.257437D+01  0.126499D+02  0.390571D+01  0.627979D+01
      6   0.305544D+01  0.252535D-02  0.165189D+01  0.212727D+01  0.469771D+01
                96            97            98            99           100 
      1  -0.288917D+01  0.272131D+01 -0.325608D+01 -0.108197D+02  0.381151D+01
      2  -0.819681D+00 -0.923014D+01 -0.255267D+01 -0.150199D+02 -0.402903D+01
      3   0.370885D+01  0.650883D+01  0.580875D+01  0.258397D+02  0.217516D+00
      4   0.662152D+01  0.318687D+01  0.713948D+01  0.968834D+01  0.132764D+01
      5   0.100083D+02  0.195436D+02  0.915943D+01  0.329629D+02 -0.279283D+01
      6   0.986202D+01  0.522904D+01  0.687133D+01  0.113646D+02 -0.777609D-01
               101           102           103           104           105 
      1   0.163003D+01 -0.632607D+01 -0.180233D+01 -0.443432D+01 -0.201302D+01
      2  -0.176677D+01  0.738711D+00  0.177856D+01  0.990350D+00 -0.570132D+01
      3   0.136732D+00  0.558736D+01  0.237639D-01  0.344397D+01  0.771435D+01
      4  -0.166570D+01 -0.465384D+00 -0.356345D+00 -0.250391D+01 -0.454398D+01
      5   0.878378D+00  0.742643D+00  0.383989D+01 -0.335175D+01 -0.967097D+01
      6   0.164784D+01 -0.143132D+01  0.338042D-01  0.162067D+01  0.323445D+01
               106           107           108           109           110 
      1  -0.562696D+01 -0.341973D+00 -0.172914D+02 -0.240778D+01  0.991178D+01
      2   0.405910D+01 -0.410854D+01 -0.171802D+02  0.519516D+01 -0.110083D+02
      3   0.156786D+01  0.445052D+01  0.344716D+02 -0.278737D+01  0.109651D+01
      4  -0.245685D+01 -0.640089D+01 -0.480588D+01  0.961026D+00 -0.351007D+01
      5   0.737458D+01 -0.245151D+01 -0.300357D+02  0.204106D+01  0.344009D-01
      6   0.813617D+00  0.391767D+01 -0.940294D+01 -0.917314D-02  0.272062D+01
               111           112           113           114           115 
      1  -0.719589D+00  0.100679D+02 -0.277392D+02  0.243067D+01  0.177950D+01
      2  -0.161701D+00 -0.785554D+01  0.415506D+02 -0.137073D+01 -0.102201D+01
      3   0.881290D+00 -0.221238D+01 -0.138114D+02 -0.105994D+01 -0.757492D+00
      4   0.164188D+01  0.348214D+01  0.326479D+02 -0.369648D+01  0.252945D+01
      5  -0.210254D+01 -0.291257D+01 -0.144795D+01  0.444004D+01 -0.124516D+00
      6  -0.271954D+01  0.745174D+00 -0.885701D+01  0.641686D+01 -0.163251D+01
               116           117           118           119           120 
      1   0.115462D+01 -0.561077D+01  0.817157D+02  0.115796D+02  0.240635D+01
      2   0.633434D+00  0.319545D+01 -0.384353D+02 -0.267981D+01  0.263670D+00
      3  -0.178805D+01  0.241533D+01 -0.432805D+02 -0.889982D+01 -0.267002D+01
      4   0.135773D+01  0.155415D+01  0.350843D+02  0.163284D+02 -0.983140D-01
      5   0.221478D+01 -0.136177D+01 -0.954669D+01 -0.201975D+01  0.103371D+02
      6   0.664045D+01 -0.123231D+01 -0.889692D+00 -0.157328D+01  0.368196D+01
               121           122           123           124           125 
      1   0.216167D+01  0.499482D+01  0.468970D+00  0.103332D+02  0.968862D+00
      2   0.194069D+01  0.101223D+01 -0.641303D+00 -0.426707D+01  0.258935D+00
      3  -0.410235D+01 -0.600705D+01  0.172334D+00 -0.606616D+01 -0.122780D+01
      4   0.131745D+02  0.820251D+01  0.544554D+00  0.510715D+01  0.383224D+01
      5   0.535730D+00 -0.215538D+00 -0.488528D+00  0.105132D+02  0.788475D+00
      6  -0.944763D+00 -0.609688D+00  0.915235D+00  0.336807D+01  0.865647D+00
               126           127           128           129           130 
      1   0.615447D+01 -0.359574D+01  0.675601D+01  0.962441D+00  0.770333D+01
      2  -0.544586D+01  0.589732D+01 -0.972951D+01 -0.678336D+00 -0.108272D+02
      3  -0.708619D+00 -0.230158D+01  0.297350D+01 -0.284105D+00  0.312390D+01
      4   0.177511D+01 -0.800981D+01  0.630922D+01  0.692909D+00  0.673937D+01
      5   0.350670D-01 -0.201540D+00  0.108751D+01  0.383430D+00  0.912025D+00
      6   0.599976D+00 -0.747339D+00 -0.239371D+00 -0.157837D+01 -0.824575D+00
               131           132           133           134           135 
      1  -0.251383D+02 -0.210193D+01  0.652389D+00 -0.101755D+01 -0.101470D+01
      2   0.340814D+02  0.171472D+01 -0.898505D+00  0.154489D+01  0.149447D+01
      3  -0.894306D+01  0.387212D+00  0.246116D+00 -0.527344D+00 -0.479768D+00
      4  -0.653295D+01 -0.424194D+00 -0.730675D-01  0.208072D+00 -0.141777D+01
      5  -0.961296D+00 -0.849903D+00  0.790439D+00 -0.833789D+00 -0.299120D-01
      6   0.247417D+01  0.505579D+01 -0.607968D+00  0.213038D+01  0.226959D+00
               136           137           138           139           140 
      1   0.849125D+01  0.697242D+01  0.128998D+01  0.689450D+00 -0.106837D+02
      2   0.224580D+01  0.433269D+01  0.691055D-01  0.114272D+02  0.322302D+02
      3  -0.107370D+02 -0.113051D+02 -0.135909D+01 -0.121166D+02 -0.215465D+02
      4   0.235196D+02  0.265068D+02  0.541929D+01  0.283553D+02  0.489864D+02
      5   0.502504D+01  0.516557D+01  0.527311D+01  0.527184D+01  0.823942D+01
      6   0.370962D+01  0.402534D+01  0.321285D+01  0.524451D+01  0.106883D+02
               141           142           143           144           145 
      1  -0.218209D+01  0.901437D+00 -0.138517D+01 -0.135757D+01  0.103159D+03
      2   0.408519D+01  0.155067D+01  0.496363D+01  0.217234D+01 -0.593809D+02
      3  -0.190309D+01 -0.245211D+01 -0.357846D+01 -0.814776D+00 -0.437778D+02
      4   0.883251D+01  0.702441D+01  0.101050D+02  0.382985D+01  0.422620D+01
      5   0.608913D+01  0.235564D+01  0.327925D+01  0.206252D+01  0.123036D+02
      6   0.808483D+01  0.247940D+01  0.472957D+01  0.283347D+01 -0.202508D+01
               146           147           148           149           150 
      1   0.302500D+01  0.826490D+01  0.166707D+01  0.968586D+01  0.130853D+01
      2  -0.150410D+01 -0.567797D+01 -0.732345D+00 -0.497809D+01 -0.113087D+01
      3  -0.152090D+01 -0.258693D+01 -0.934721D+00 -0.470778D+01 -0.177663D+00
      4   0.846672D+01  0.463989D-01  0.154140D+02  0.122504D+01  0.143902D+01
      5   0.743555D-01  0.109842D+02  0.250535D+01  0.148746D+01  0.549024D+00
      6   0.518017D+00 -0.265857D-02  0.107838D+01 -0.250635D+00  0.158216D+01
               151           152           153           154           155 
      1   0.108328D+02  0.155281D+01  0.416811D+01  0.157466D+02 -0.108252D+02
      2  -0.655815D+01 -0.101496D+01 -0.282518D+01 -0.468734D+00 -0.319631D+01
      3  -0.427460D+01 -0.537850D+00 -0.134293D+01 -0.152779D+02  0.140215D+02
      4   0.261261D+01  0.118252D+01  0.584485D+00 -0.298809D+02  0.301642D+02
      5   0.476703D+01  0.397478D+00  0.244348D+01 -0.373812D+01  0.279105D+01
      6   0.112066D+00  0.787333D+00  0.304288D+00  0.125819D+01 -0.107507D+01
               156           157           158           159           160 
      1  -0.143893D+01 -0.534774D+01 -0.187927D+01  0.806729D-02  0.393808D+00
      2   0.374740D+00 -0.952818D+01  0.238231D+02  0.125072D+01 -0.151662D+01
      3   0.106419D+01  0.148759D+02 -0.219438D+02 -0.125879D+01  0.112281D+01
      4   0.254536D+01  0.331211D+02 -0.484025D+02 -0.556537D+01  0.339014D+01
      5   0.501942D+01  0.483167D+01 -0.627118D+01 -0.555596D+01  0.203855D+01
      6  -0.280199D+01 -0.310721D+01  0.472669D+01  0.610084D+01 -0.172343D+01
               161           162           163           164           165 
      1  -0.980437D+00 -0.800687D+00 -0.510932D+01 -0.731295D+01 -0.281819D+01
      2   0.279411D+01  0.141800D+01  0.620200D+01  0.855369D+01  0.195374D+01
      3  -0.181367D+01 -0.617310D+00 -0.109268D+01 -0.124073D+01  0.864446D+00
      4  -0.539732D+01 -0.299605D+01  0.525959D+01  0.679822D+01  0.123264D+01
      5  -0.217970D+01 -0.104476D+01  0.440746D+00  0.893852D+00  0.145497D+01
      6   0.311129D+01  0.139804D+01  0.254821D+01  0.405000D+01  0.256909D+01
               166           167           168           169           170 
      1  -0.831935D+01 -0.286416D+02 -0.739341D+01 -0.242312D+01 -0.660076D+01
      2   0.102563D+02  0.363302D+02  0.665849D+01  0.263752D+01  0.736733D+01
      3  -0.193690D+01 -0.768853D+01  0.734919D+00 -0.214403D+00 -0.766576D+00
      4   0.574471D+01  0.185233D+01  0.511248D-01  0.163254D+01  0.875324D+00
      5   0.559319D+00 -0.572770D+00  0.129035D+00  0.125890D+01  0.668916D+00
      6   0.329771D+01  0.117536D+02  0.791352D+01  0.136373D+01  0.451031D+01
               171           172           173           174           175 
      1  -0.288158D+01  0.699373D+02 -0.103464D+02  0.119457D+02 -0.634820D+00
      2   0.276784D+01 -0.377167D+02  0.404925D+01 -0.732105D+01 -0.158961D+01
      3   0.113736D+00 -0.322206D+02  0.629715D+01 -0.462463D+01  0.222443D+01
      4   0.189388D+01 -0.273247D+02  0.117179D+02 -0.353351D+01  0.754665D+01
      5   0.100500D+01  0.181679D+02 -0.197798D+01  0.105483D+02  0.252838D+01
      6   0.315757D+01 -0.486459D+01  0.747007D+00 -0.294962D+01  0.508616D+00
               176           177           178           179           180 
      1   0.276217D+01  0.281052D+01  0.160610D+02  0.891903D+00  0.617025D+01
      2  -0.223310D+00 -0.240324D+01 -0.112590D+02 -0.589526D+00 -0.478758D+01
      3  -0.253886D+01 -0.407282D+00 -0.480195D+01 -0.302377D+00 -0.138267D+01
      4  -0.262679D+01  0.119224D+01 -0.362355D+01  0.201349D+01 -0.349393D+01
      5   0.193201D+01  0.419240D+00  0.124790D+02 -0.255344D+01  0.565028D+01
      6  -0.532360D+00  0.140592D+01 -0.266225D+01  0.174227D+01 -0.922773D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:55:58 2021, MaxMem=  5368709120 cpu:            6656.0 elap:             832.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31568 -10.22305 -10.19231 -10.18686 -10.18546
 Alpha  occ. eigenvalues --  -10.18531 -10.18449 -10.18181 -10.18118  -0.89294
 Alpha  occ. eigenvalues --   -0.84653  -0.76028  -0.73831  -0.71439  -0.63024
 Alpha  occ. eigenvalues --   -0.60113  -0.57296  -0.52636  -0.49476  -0.46608
 Alpha  occ. eigenvalues --   -0.44869  -0.43363  -0.42437  -0.41923  -0.41494
 Alpha  occ. eigenvalues --   -0.38707  -0.37513  -0.35657  -0.34162  -0.33530
 Alpha  occ. eigenvalues --   -0.25711  -0.25287  -0.24549
 Alpha virt. eigenvalues --   -0.01409  -0.00850   0.01420   0.03592   0.04328
 Alpha virt. eigenvalues --    0.05334   0.06437   0.06523   0.07598   0.09203
 Alpha virt. eigenvalues --    0.10250   0.11178   0.12419   0.12886   0.13679
 Alpha virt. eigenvalues --    0.14071   0.14595   0.15426   0.16251   0.16675
 Alpha virt. eigenvalues --    0.17535   0.17955   0.19090   0.19925   0.20584
 Alpha virt. eigenvalues --    0.21323   0.22080   0.22512   0.24745   0.24942
 Alpha virt. eigenvalues --    0.25395   0.26062   0.26865   0.27253   0.27419
 Alpha virt. eigenvalues --    0.29363   0.29551   0.29872   0.31098   0.31584
 Alpha virt. eigenvalues --    0.32139   0.32407   0.32936   0.33349   0.34292
 Alpha virt. eigenvalues --    0.34944   0.35452   0.36121   0.36801   0.37012
 Alpha virt. eigenvalues --    0.37335   0.38320   0.38619   0.39308   0.39785
 Alpha virt. eigenvalues --    0.40005   0.40264   0.40974   0.41187   0.41559
 Alpha virt. eigenvalues --    0.42001   0.42426   0.42999   0.43428   0.44552
 Alpha virt. eigenvalues --    0.45093   0.45418   0.46041   0.46553   0.47163
 Alpha virt. eigenvalues --    0.47882   0.49192   0.49832   0.51203   0.51656
 Alpha virt. eigenvalues --    0.52436   0.53260   0.54227   0.54845   0.55312
 Alpha virt. eigenvalues --    0.56173   0.56584   0.57704   0.58753   0.59345
 Alpha virt. eigenvalues --    0.60005   0.60315   0.61017   0.61826   0.63650
 Alpha virt. eigenvalues --    0.64421   0.65693   0.66471   0.67571   0.68005
 Alpha virt. eigenvalues --    0.69203   0.69909   0.70608   0.70966   0.73476
 Alpha virt. eigenvalues --    0.74216   0.75082   0.76439   0.77399   0.78350
 Alpha virt. eigenvalues --    0.79384   0.81401   0.82253   0.83294   0.85645
 Alpha virt. eigenvalues --    0.88290   0.89050   0.91966   0.92922   0.94606
 Alpha virt. eigenvalues --    0.96362   0.97039   0.97704   0.98678   0.99024
 Alpha virt. eigenvalues --    1.00208   1.01693   1.03637   1.04169   1.05702
 Alpha virt. eigenvalues --    1.07279   1.09352   1.11283   1.11944   1.13712
 Alpha virt. eigenvalues --    1.14327   1.15530   1.16203   1.18053   1.19444
 Alpha virt. eigenvalues --    1.20400   1.21868   1.23488   1.24058   1.25449
 Alpha virt. eigenvalues --    1.26143   1.27255   1.30041   1.31417   1.31896
 Alpha virt. eigenvalues --    1.36553   1.38708   1.40148   1.42057   1.43801
 Alpha virt. eigenvalues --    1.46914   1.49222   1.50519   1.51999   1.57731
 Alpha virt. eigenvalues --    1.59210   1.60109   1.60703   1.63221   1.64999
 Alpha virt. eigenvalues --    1.67100   1.69768   1.70078   1.73684   1.76117
 Alpha virt. eigenvalues --    1.78781   1.79095   1.79477   1.83846   1.84902
 Alpha virt. eigenvalues --    1.86953   1.88121   1.89388   1.90762   1.91895
 Alpha virt. eigenvalues --    1.93400   1.95578   1.96860   1.98272   1.99419
 Alpha virt. eigenvalues --    2.01059   2.01884   2.03493   2.03848   2.05809
 Alpha virt. eigenvalues --    2.09353   2.11228   2.12105   2.12622   2.16703
 Alpha virt. eigenvalues --    2.18025   2.19047   2.21197   2.23215   2.25787
 Alpha virt. eigenvalues --    2.28908   2.31459   2.33589   2.35526   2.36964
 Alpha virt. eigenvalues --    2.38578   2.40906   2.42035   2.44543   2.47672
 Alpha virt. eigenvalues --    2.48140   2.50148   2.51913   2.57944   2.60913
 Alpha virt. eigenvalues --    2.61949   2.65764   2.67453   2.69809   2.74797
 Alpha virt. eigenvalues --    2.84042   2.84465   2.85279   2.86356   2.87486
 Alpha virt. eigenvalues --    2.90391   2.95695   3.01015   3.03181   3.05325
 Alpha virt. eigenvalues --    3.09608   3.10721   3.13863   3.15782   3.20139
 Alpha virt. eigenvalues --    3.22663   3.33347   3.43234   3.63009   3.71235
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.535028  -1.055375   0.525656  -0.185275   0.695892  -0.325847
     2  C   -1.055375   8.160799  -0.852063   0.112486  -0.165979   0.650106
     3  C    0.525656  -0.852063  10.341915  -0.840904   0.616368  -0.152108
     4  C   -0.185275   0.112486  -0.840904   8.671763  -1.061566   0.691431
     5  C    0.695892  -0.165979   0.616368  -1.061566   7.817841  -0.267028
     6  C   -0.325847   0.650106  -0.152108   0.691431  -0.267028   6.724619
     7  C    0.105633  -0.562861  -0.046796  -0.806926   0.056736   0.056579
     8  N   -0.005018  -0.045823   0.070371  -0.312196   0.083520   0.006889
     9  C   -0.004486   0.021194  -0.065230   0.072467  -0.007685   0.000871
    10  H    0.000830   0.007715  -0.014146  -0.033323   0.000865  -0.000259
    11  H   -0.009087   0.017455  -0.070412   0.128030  -0.005015  -0.006172
    12  H   -0.006055  -0.000314  -0.017566   0.024844   0.001453   0.000400
    13  H    0.005003  -0.019514  -0.099509  -0.025947  -0.001828   0.001066
    14  H    0.000942  -0.018870   0.018212  -0.014547  -0.000355   0.000008
    15  H    0.227948   0.063722  -1.680695   0.476956  -1.164526  -0.069392
    16  H   -0.073077   0.183031  -0.002603  -0.617750   0.205342  -0.660160
    17  H   -0.576275   0.012531   0.194099  -0.014675  -0.650121   0.243388
    18  H    0.161536  -0.606665   0.084055   0.211525  -0.072343  -0.652377
    19  H   -0.779996   0.559461  -1.219559   0.002720   0.225014  -0.055650
    20  H    0.000020   0.015387   0.035329   0.101960  -0.006575  -0.000521
               7          8          9         10         11         12
     1  C    0.105633  -0.005018  -0.004486   0.000830  -0.009087  -0.006055
     2  C   -0.562861  -0.045823   0.021194   0.007715   0.017455  -0.000314
     3  C   -0.046796   0.070371  -0.065230  -0.014146  -0.070412  -0.017566
     4  C   -0.806926  -0.312196   0.072467  -0.033323   0.128030   0.024844
     5  C    0.056736   0.083520  -0.007685   0.000865  -0.005015   0.001453
     6  C    0.056579   0.006889   0.000871  -0.000259  -0.006172   0.000400
     7  C    6.383637   0.371308   0.189580   0.162513  -0.097830   0.158129
     8  N    0.371308   8.166393  -0.056569  -0.208265  -0.122564  -0.026268
     9  C    0.189580  -0.056569   4.162273  -0.031344   0.098336   0.210869
    10  H    0.162513  -0.208265  -0.031344   1.037055   0.011899   0.001424
    11  H   -0.097830  -0.122564   0.098336   0.011899   1.152766  -0.014282
    12  H    0.158129  -0.026268   0.210869   0.001424  -0.014282   0.896269
    13  H    0.132682   0.010749   0.257479   0.001408   0.006502  -0.086611
    14  H    0.138566   0.014682   0.210937  -0.000812  -0.016150  -0.059954
    15  H   -0.392872  -0.519375   0.012964  -0.018075   0.036746   0.006811
    16  H   -0.001402   0.009121  -0.000166  -0.000511  -0.000817  -0.000343
    17  H   -0.003222  -0.000756  -0.000046   0.000049   0.000331   0.000021
    18  H    0.000813   0.001330   0.000270  -0.000096  -0.003042   0.000424
    19  H   -0.280081  -0.015336   0.017598   0.002379   0.049948  -0.003022
    20  H    0.002450  -0.447737   0.016755  -0.007411   0.043002   0.011923
              13         14         15         16         17         18
     1  C    0.005003   0.000942   0.227948  -0.073077  -0.576275   0.161536
     2  C   -0.019514  -0.018870   0.063722   0.183031   0.012531  -0.606665
     3  C   -0.099509   0.018212  -1.680695  -0.002603   0.194099   0.084055
     4  C   -0.025947  -0.014547   0.476956  -0.617750  -0.014675   0.211525
     5  C   -0.001828  -0.000355  -1.164526   0.205342  -0.650121  -0.072343
     6  C    0.001066   0.000008  -0.069392  -0.660160   0.243388  -0.652377
     7  C    0.132682   0.138566  -0.392872  -0.001402  -0.003222   0.000813
     8  N    0.010749   0.014682  -0.519375   0.009121  -0.000756   0.001330
     9  C    0.257479   0.210937   0.012964  -0.000166  -0.000046   0.000270
    10  H    0.001408  -0.000812  -0.018075  -0.000511   0.000049  -0.000096
    11  H    0.006502  -0.016150   0.036746  -0.000817   0.000331  -0.003042
    12  H   -0.086611  -0.059954   0.006811  -0.000343   0.000021   0.000424
    13  H    0.967050   0.040626  -0.006095   0.000174  -0.000018  -0.000586
    14  H    0.040626   0.741449  -0.003491   0.000025  -0.000003   0.000089
    15  H   -0.006095  -0.003491   3.870034  -0.779866   0.085231  -0.027783
    16  H    0.000174   0.000025  -0.779866   2.985557  -0.720499   0.082041
    17  H   -0.000018  -0.000003   0.085231  -0.720499   2.821789  -0.680775
    18  H   -0.000586   0.000089  -0.027783   0.082041  -0.680775   2.909771
    19  H    0.010801  -0.007756   0.067773  -0.026549   0.078826  -0.697779
    20  H   -0.005770  -0.010216   0.078087  -0.000545   0.000018  -0.000044
              19         20
     1  C   -0.779996   0.000020
     2  C    0.559461   0.015387
     3  C   -1.219559   0.035329
     4  C    0.002720   0.101960
     5  C    0.225014  -0.006575
     6  C   -0.055650  -0.000521
     7  C   -0.280081   0.002450
     8  N   -0.015336  -0.447737
     9  C    0.017598   0.016755
    10  H    0.002379  -0.007411
    11  H    0.049948   0.043002
    12  H   -0.003022   0.011923
    13  H    0.010801  -0.005770
    14  H   -0.007756  -0.010216
    15  H    0.067773   0.078087
    16  H   -0.026549  -0.000545
    17  H    0.078826   0.000018
    18  H   -0.697779  -0.000044
    19  H    2.928912   0.002220
    20  H    0.002220   1.282733
 Mulliken charges:
               1
     1  C   -0.237995
     2  C   -0.476424
     3  C   -0.824414
     4  C   -0.581072
     5  C   -0.300009
     6  C   -0.185844
     7  C    0.433364
     8  N    0.025545
     9  C    0.893935
    10  H    0.088105
    11  H   -0.199645
    12  H   -0.098152
    13  H   -0.187662
    14  H   -0.033380
    15  H    0.735899
    16  H    0.418997
    17  H    0.210106
    18  H    0.289636
    19  H    0.140075
    20  H   -0.111065
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.051641
     2  C   -0.336349
     3  C   -0.824414
     4  C    0.154827
     5  C    0.118989
     6  C    0.024262
     7  C    0.233719
     8  N    0.002586
     9  C    0.574740
 Electronic spatial extent (au):  <R**2>=           1298.9009
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1012    Y=             -0.7320    Z=              0.6317  Tot=              1.4654
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.4591   YY=            -54.2406   ZZ=            -58.4075
   XY=              0.3300   XZ=             -0.1715   YZ=              3.4268
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.2433   YY=             -0.5382   ZZ=             -4.7051
   XY=              0.3300   XZ=             -0.1715   YZ=              3.4268
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -15.2081  YYY=             -1.2114  ZZZ=             -0.1544  XYY=              3.7544
  XXY=              3.8620  XXZ=              0.1984  XZZ=             -7.9530  YZZ=              0.1965
  YYZ=              3.5363  XYZ=             -2.9434
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1115.0358 YYYY=           -435.9043 ZZZZ=           -125.4862 XXXY=            -27.2864
 XXXZ=             21.9996 YYYX=             -1.5315 YYYZ=             16.0231 ZZZX=              1.0256
 ZZZY=              2.1720 XXYY=           -271.6229 XXZZ=           -236.2877 YYZZ=           -101.9888
 XXYZ=             11.4247 YYXZ=             -5.9811 ZZXY=             -1.4565
 N-N= 4.253370711197D+02 E-N=-1.697297490327D+03  KE= 3.617736200601D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:55:59 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.48079380D-01-2.69225474D-01 2.51130787D-01
 Polarizability= 1.26729849D+02 9.03546457D-01 1.04139862D+02
                 2.81517985D+00 4.83740742D+00 6.70563751D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2261   -1.2259        0.5504    0.5511
 2      1.2261    1.2259       -2.2143   -2.2148      -12.5270  -12.5223
 3     -0.5504   -0.5511       31.6543   31.6542        2.2191    2.2148
 4      2.2143    2.2148        0.0000    0.0000       -0.5501   -0.5511
 5    -19.1273  -19.1319        0.5501    0.5511       -1.2245   -1.2259
 6     -2.2191   -2.2148        1.2245    1.2259       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.6777    3.6777        1.6534    1.6534
 2      6.6444    6.6444        0.0000    0.0000        1.6534    1.6534
 3      6.6444    6.6444        3.6777    3.6777       -0.0000    0.0000
 4      3.6777    3.6777       -6.6444   -6.6444      -37.5669  -37.5669
 5     -1.6534   -1.6534       94.9627   94.9627        6.6444    6.6444
 6    -57.3958  -57.3958        1.6534    1.6534       -3.6777   -3.6777
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0746    0.0000        4.8281    4.9036       -2.1688   -2.2046
 2     -4.9781   -4.9036        8.7791    8.8593       50.1087   50.0892
 3      2.0400    2.2046     -126.4690 -126.6170       -8.8086   -8.8593
 4     -8.8350   -8.8593        0.0038    0.0000        2.2032    2.2046
 5     76.4957   76.5278       -2.0431   -2.2046        4.8871    4.9036
 6      8.8404    8.8593       -5.1169   -4.9036        0.0340    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1849    0.0000        4.1191    4.0189      -11.8852  -11.8360
 2     -4.0663   -4.0189      -40.0277  -40.1301      -24.9498  -25.1101
 3     12.1127   11.8360      -21.6545  -21.5805       40.0585   40.1301
 4     40.1355   40.1301        0.0957    0.0000       11.8578   11.8360
 5     46.4391   46.6906      -12.1092  -11.8360        3.9533    4.0189
 6    -40.3522  -40.1301       -4.2385   -4.0189        0.0420    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     14.5953   14.8440        6.4861    6.5559       12.7919   12.7150
 2     75.8287   75.8232       -0.3828   -0.5592       12.7940   12.7150
 3     75.7731   75.8232        6.7250    6.5559       18.3403   18.2711
 4      7.1828    7.1152      -60.9572  -60.9792      -31.3248  -31.3440
 5      5.5951    5.5561      -40.8810  -40.8703       61.0431   60.9792
 6     72.0814   72.2144       -5.7545   -5.5561       -7.0415   -7.1152
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.9637   -3.5027   -0.0008   -0.0008   -0.0007    5.4256
 Low frequencies ---   38.3573  140.8983  226.9340
 Diagonal vibrational polarizability:
       16.3409826       6.7537814      20.4588085
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     38.3382               140.8978               226.9339
 Red. masses --      3.1692                 3.0957                 2.1737
 Frc consts  --      0.0027                 0.0362                 0.0660
 IR Inten    --      0.1854                 3.1281                 2.8062
 RamAct Fr= 1--      2.4962                 3.9864                 0.1854
  Dep-P Fr= 1--      0.7485                 0.7299                 0.7178
  Dep-U Fr= 1--      0.8561                 0.8439                 0.8357
 Alpha2 Fr= 1--      0.0001                 0.0014                 0.0001
 Beta2  Fr= 1--      0.3562                 0.5607                 0.0258
 AlphaG Fr= 1--      0.0007                -0.0004                -0.0004
 Gamma2 Fr= 1--     -1.5501                -0.8320                 0.1088
 Delta2 Fr= 1--     -1.0727                -0.3791                 0.1325
 Raman1 Fr= 1--       9.985                 15.946                  0.742
 ROA1   Fr= 1--    -183.138                -92.000                 14.686
 CID1   Fr= 1--     -18.342                 -5.770                 19.799
 Raman2 Fr= 1--       4.274                  6.728                  0.310
 ROA2   Fr= 1--     -28.621                -16.934                  1.551
 CID2   Fr= 1--      -6.696                 -2.517                  5.003
 Raman3 Fr= 1--       8.548                 13.456                  0.620
 ROA3   Fr= 1--    -183.138                -92.000                 14.686
 CID3   Fr= 1--     -21.424                 -6.837                 23.691
 RC180  Fr= 1--       0.712                  0.688                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.14    -0.05  -0.03   0.07     0.06   0.04  -0.01
     2   6    -0.01  -0.02   0.15    -0.02   0.02  -0.14     0.06  -0.07  -0.03
     3   6     0.00   0.01   0.01    -0.01   0.04  -0.19    -0.01  -0.11  -0.04
     4   6     0.02   0.03  -0.13    -0.00   0.03  -0.17    -0.08  -0.08  -0.02
     5   6     0.03   0.03  -0.15    -0.03  -0.02   0.03    -0.10   0.03   0.02
     6   6     0.01   0.01  -0.01    -0.05  -0.05   0.19    -0.02   0.08   0.01
     7   6    -0.00   0.04  -0.01    -0.02   0.02  -0.04    -0.01  -0.04  -0.01
     8   7     0.02   0.04   0.21    -0.04  -0.00   0.08     0.16   0.05   0.02
     9   6    -0.04  -0.12  -0.20     0.19   0.00   0.07    -0.10   0.05   0.02
    10   1     0.06  -0.10   0.26     0.17   0.01   0.07     0.47   0.13  -0.01
    11   1     0.01   0.22  -0.09    -0.16   0.01  -0.01    -0.09  -0.02  -0.00
    12   1    -0.04  -0.32  -0.13     0.43  -0.02   0.04     0.16  -0.08   0.02
    13   1    -0.09  -0.13  -0.38     0.15  -0.01  -0.05    -0.38  -0.06  -0.14
    14   1    -0.04  -0.05  -0.23     0.15   0.03   0.32    -0.15   0.35   0.18
    15   1     0.03   0.04  -0.23     0.01   0.04  -0.23    -0.12  -0.11  -0.05
    16   1     0.04   0.05  -0.26    -0.02  -0.03   0.09    -0.17   0.06   0.03
    17   1     0.01   0.01  -0.02    -0.08  -0.09   0.40    -0.02   0.15   0.03
    18   1    -0.03  -0.04   0.25    -0.06  -0.04   0.16     0.13   0.09  -0.01
    19   1    -0.02  -0.04   0.26    -0.02   0.03  -0.19     0.13  -0.11  -0.02
    20   1     0.00   0.09   0.23    -0.10  -0.03   0.30     0.07   0.13   0.32
                      4                      5                      6
                      A                      A                      A
 Frequencies --    251.5487               259.7077               333.6777
 Red. masses --      1.0306                 1.4496                 3.0139
 Frc consts  --      0.0384                 0.0576                 0.1977
 IR Inten    --     32.0808                14.8692                 1.6611
 RamAct Fr= 1--      0.2327                 0.4182                 1.4979
  Dep-P Fr= 1--      0.5027                 0.7498                 0.0678
  Dep-U Fr= 1--      0.6690                 0.8570                 0.1271
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0284
 Beta2  Fr= 1--      0.0259                 0.0597                 0.0317
 AlphaG Fr= 1--      0.0012                 0.0002                 0.0114
 Gamma2 Fr= 1--      0.0635                 0.0811                 0.0842
 Delta2 Fr= 1--     -0.0221                -0.1398                 0.0253
 Raman1 Fr= 1--       0.931                  1.673                  5.992
 ROA1   Fr= 1--       5.384                  3.314                  8.896
 CID1   Fr= 1--       5.784                  1.981                  1.485
 Raman2 Fr= 1--       0.311                  0.717                  0.381
 ROA2   Fr= 1--       1.700                  3.065                  1.818
 CID2   Fr= 1--       5.460                  4.277                  4.777
 Raman3 Fr= 1--       0.623                  1.434                  0.761
 ROA3   Fr= 1--       5.384                  3.314                  8.896
 CID3   Fr= 1--       8.646                  2.312                 11.685
 RC180  Fr= 1--       0.338                  0.714                 -0.746
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00    -0.04  -0.01   0.00    -0.08  -0.02   0.04
     2   6    -0.01   0.01  -0.01    -0.04   0.03   0.06    -0.07  -0.06   0.10
     3   6    -0.00   0.01   0.00    -0.01   0.05   0.04    -0.03  -0.03  -0.01
     4   6     0.01   0.01  -0.00     0.02   0.03   0.07    -0.10  -0.03   0.09
     5   6     0.01  -0.00   0.00     0.03  -0.01   0.01    -0.11   0.00   0.02
     6   6     0.00  -0.01   0.01     0.00  -0.02  -0.05    -0.10   0.03  -0.11
     7   6     0.00  -0.01  -0.00     0.01   0.00  -0.01     0.03   0.04  -0.08
     8   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.09     0.14   0.09  -0.01
     9   6    -0.02  -0.01  -0.01     0.05  -0.04  -0.02     0.23  -0.02  -0.03
    10   1     0.49   0.20  -0.10     0.31   0.20  -0.18     0.11   0.01   0.02
    11   1     0.02  -0.02  -0.00     0.06  -0.04  -0.01    -0.02   0.08  -0.08
    12   1    -0.35   0.17  -0.02     0.42  -0.29   0.01     0.17   0.12  -0.07
    13   1     0.21   0.07   0.23    -0.22  -0.13  -0.35     0.53   0.11   0.06
    14   1     0.03  -0.27  -0.26    -0.01   0.25   0.26     0.25  -0.35   0.01
    15   1     0.04   0.03  -0.01     0.06   0.06   0.09    -0.14  -0.07   0.13
    16   1     0.01  -0.00  -0.00     0.06  -0.02  -0.00    -0.12   0.00   0.03
    17   1    -0.00  -0.01   0.01     0.01  -0.03  -0.13    -0.09   0.07  -0.25
    18   1    -0.01  -0.00  -0.01    -0.07  -0.02  -0.01    -0.04  -0.01   0.06
    19   1    -0.01   0.02  -0.02    -0.07   0.04   0.08    -0.08  -0.08   0.16
    20   1    -0.15  -0.11   0.53    -0.15  -0.16   0.32     0.16   0.23  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.3804               415.3491               465.0528
 Red. masses --      3.3102                 2.9778                 2.8227
 Frc consts  --      0.3064                 0.3027                 0.3597
 IR Inten    --      7.6347                 0.0411                 1.6174
 RamAct Fr= 1--      1.1904                 0.0495                 2.8916
  Dep-P Fr= 1--      0.7109                 0.4303                 0.1143
  Dep-U Fr= 1--      0.8310                 0.6017                 0.2051
 Alpha2 Fr= 1--      0.0008                 0.0003                 0.0489
 Beta2  Fr= 1--      0.1649                 0.0050                 0.0988
 AlphaG Fr= 1--     -0.0019                -0.0031                 0.0347
 Gamma2 Fr= 1--      0.5472                -0.3771                 0.2290
 Delta2 Fr= 1--      0.0818                -0.0459                -0.0414
 Raman1 Fr= 1--       4.762                  0.198                 11.566
 ROA1   Fr= 1--      55.145                -37.670                 20.659
 CID1   Fr= 1--      11.581               -190.380                  1.786
 Raman2 Fr= 1--       1.979                  0.060                  1.186
 ROA2   Fr= 1--      12.478                 -8.684                  5.827
 CID2   Fr= 1--       6.307               -145.873                  4.913
 Raman3 Fr= 1--       3.957                  0.119                  2.372
 ROA3   Fr= 1--      55.145                -37.670                 20.659
 CID3   Fr= 1--      13.935               -316.409                  8.708
 RC180  Fr= 1--       0.662                  0.203                 -0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01  -0.07     0.02   0.04  -0.21     0.09   0.02  -0.00
     2   6    -0.07   0.07  -0.07    -0.02  -0.03   0.21     0.06  -0.04  -0.01
     3   6    -0.01   0.06   0.12    -0.00   0.00  -0.00    -0.05  -0.08   0.03
     4   6    -0.00   0.10  -0.07     0.03   0.04  -0.21     0.01  -0.11  -0.02
     5   6    -0.01   0.04  -0.05    -0.02  -0.04   0.20     0.01  -0.03  -0.03
     6   6    -0.09  -0.03   0.10     0.00  -0.00  -0.00     0.09   0.02   0.04
     7   6     0.04  -0.05   0.15    -0.01   0.00  -0.00    -0.13   0.11   0.10
     8   7     0.22   0.01  -0.08    -0.01  -0.00   0.00    -0.11   0.19  -0.09
     9   6    -0.03  -0.18   0.05     0.01  -0.00  -0.00     0.03  -0.11   0.02
    10   1     0.11   0.16  -0.14    -0.01  -0.00   0.00    -0.06   0.46  -0.20
    11   1     0.11  -0.11   0.15    -0.02   0.01  -0.00    -0.17   0.10   0.11
    12   1    -0.11  -0.36   0.13     0.00   0.01  -0.00     0.01  -0.32   0.10
    13   1     0.01  -0.15  -0.11     0.01   0.00   0.01     0.29   0.03  -0.25
    14   1    -0.01  -0.19  -0.06     0.01  -0.01  -0.00     0.04  -0.38   0.06
    15   1     0.02   0.12  -0.18     0.05   0.07  -0.43     0.02  -0.10  -0.04
    16   1     0.06   0.02  -0.12    -0.04  -0.08   0.46    -0.07   0.01  -0.06
    17   1    -0.10  -0.10   0.22     0.00  -0.01   0.01     0.08   0.05   0.08
    18   1    -0.10   0.02  -0.17     0.04   0.07  -0.43     0.10   0.03  -0.03
    19   1    -0.13   0.13  -0.18    -0.04  -0.08   0.45     0.17  -0.09  -0.04
    20   1     0.28   0.22  -0.31    -0.01   0.00  -0.01    -0.12   0.16  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    519.1726               597.2976               638.9278
 Red. masses --      3.2119                 2.8438                 6.3743
 Frc consts  --      0.5101                 0.5978                 1.5332
 IR Inten    --      6.6799                10.3708                 0.0498
 RamAct Fr= 1--      2.1844                 0.9152                 4.2103
  Dep-P Fr= 1--      0.2201                 0.7385                 0.7493
  Dep-U Fr= 1--      0.3607                 0.8496                 0.8567
 Alpha2 Fr= 1--      0.0281                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1313                 0.1296                 0.6012
 AlphaG Fr= 1--     -0.0171                 0.0008                 0.0008
 Gamma2 Fr= 1--     -0.2320                -0.0051                 0.0057
 Delta2 Fr= 1--     -0.0223                 0.0148                 0.0184
 Raman1 Fr= 1--       8.738                  3.661                 16.841
 ROA1   Fr= 1--     -22.987                 -0.014                  1.137
 CID1   Fr= 1--      -2.631                 -0.004                  0.068
 Raman2 Fr= 1--       1.576                  1.555                  7.214
 ROA2   Fr= 1--      -5.390                 -0.241                 -0.010
 CID2   Fr= 1--      -3.420                 -0.155                 -0.001
 Raman3 Fr= 1--       3.152                  3.110                 14.428
 ROA3   Fr= 1--     -22.987                 -0.014                  1.137
 CID3   Fr= 1--      -7.293                 -0.004                  0.079
 RC180  Fr= 1--      -0.279                  0.699                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.11    -0.01  -0.09   0.06     0.27  -0.23  -0.01
     2   6     0.01  -0.10  -0.00     0.02  -0.11  -0.07     0.22   0.22   0.05
     3   6     0.05  -0.08   0.24     0.14   0.00  -0.10    -0.01   0.14   0.02
     4   6    -0.05  -0.02   0.00    -0.00   0.04  -0.05    -0.25   0.20   0.00
     5   6    -0.06   0.03  -0.11    -0.05   0.05   0.08    -0.24  -0.25  -0.07
     6   6    -0.11  -0.02   0.14    -0.12   0.03  -0.12     0.01  -0.14  -0.03
     7   6     0.12   0.08   0.01     0.15   0.08   0.18     0.00  -0.00   0.01
     8   7    -0.08  -0.00   0.01    -0.05   0.02  -0.02     0.01   0.03  -0.00
     9   6     0.09   0.13  -0.08    -0.01  -0.00   0.00    -0.01   0.00   0.00
    10   1    -0.10  -0.00   0.01    -0.15   0.25  -0.11     0.01   0.02   0.00
    11   1     0.28   0.12  -0.04     0.10   0.03   0.20     0.01  -0.00   0.01
    12   1     0.12   0.12  -0.09    -0.25  -0.27   0.14    -0.01  -0.02   0.01
    13   1     0.05   0.11  -0.08    -0.10  -0.03  -0.16    -0.01   0.00  -0.02
    14   1     0.09   0.18  -0.07     0.03   0.12  -0.30    -0.01   0.01  -0.01
    15   1    -0.12  -0.05  -0.24    -0.13  -0.05   0.09    -0.10   0.29   0.05
    16   1    -0.02   0.07  -0.36    -0.01  -0.02   0.32    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.13   0.03  -0.06    -0.02   0.29   0.05
    18   1     0.12   0.06  -0.35     0.08  -0.06   0.31     0.12  -0.32  -0.02
    19   1     0.01  -0.04  -0.24    -0.07  -0.10   0.11     0.07   0.29   0.07
    20   1    -0.11  -0.31   0.16    -0.04  -0.31   0.01     0.00   0.03   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    713.4131               752.2143               778.0136
 Red. masses --      1.7853                 3.1731                 2.0158
 Frc consts  --      0.5354                 1.0578                 0.7189
 IR Inten    --     40.2636                13.4745                20.9051
 RamAct Fr= 1--      0.0793                12.3740                 3.8569
  Dep-P Fr= 1--      0.0728                 0.0504                 0.2531
  Dep-U Fr= 1--      0.1357                 0.0960                 0.4040
 Alpha2 Fr= 1--      0.0015                 0.2442                 0.0453
 Beta2  Fr= 1--      0.0018                 0.1980                 0.2597
 AlphaG Fr= 1--      0.0056                -0.0842                -0.0005
 Gamma2 Fr= 1--      0.0036                 1.4736                 0.5966
 Delta2 Fr= 1--      0.0247                 0.5952                -0.2289
 Raman1 Fr= 1--       0.317                 49.496                 15.428
 ROA1   Fr= 1--       1.132                160.513                 49.945
 CID1   Fr= 1--       3.566                  3.243                  3.237
 Raman2 Fr= 1--       0.022                  2.376                  3.116
 ROA2   Fr= 1--      -0.112                 30.605                 16.149
 CID2   Fr= 1--      -5.204                 12.881                  5.182
 Raman3 Fr= 1--       0.043                  4.752                  6.233
 ROA3   Fr= 1--       1.132                160.513                 49.945
 CID3   Fr= 1--      26.284                 33.779                  8.013
 RC180  Fr= 1--      -0.729                 -0.808                 -0.192
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.14    -0.07   0.14   0.03     0.03  -0.06  -0.00
     2   6    -0.01  -0.02   0.07    -0.05   0.13  -0.06     0.03  -0.03  -0.08
     3   6     0.02   0.02  -0.10    -0.12  -0.03   0.10     0.01  -0.03   0.18
     4   6    -0.01  -0.01   0.08    -0.04  -0.13  -0.10     0.03   0.06  -0.06
     5   6     0.02   0.03  -0.14    -0.06  -0.15  -0.02     0.03   0.06   0.02
     6   6    -0.02  -0.01   0.07     0.15   0.03  -0.07    -0.04   0.02  -0.12
     7   6     0.00   0.00   0.00     0.08   0.03   0.10    -0.07  -0.03  -0.07
     8   7     0.00   0.00  -0.00     0.04  -0.07   0.01    -0.01   0.03  -0.01
     9   6     0.00  -0.00   0.00     0.07   0.09  -0.06    -0.03  -0.02  -0.00
    10   1    -0.00   0.02  -0.01    -0.05   0.03  -0.03     0.05  -0.08   0.04
    11   1    -0.04  -0.00   0.01     0.17   0.00   0.09     0.08   0.05  -0.13
    12   1    -0.03  -0.02   0.01    -0.03  -0.02  -0.00     0.17   0.15  -0.09
    13   1    -0.02  -0.01   0.00     0.02   0.08  -0.14     0.07   0.01   0.10
    14   1     0.00   0.01  -0.03     0.09   0.15  -0.20    -0.06  -0.14   0.26
    15   1    -0.04  -0.06   0.49     0.03  -0.10   0.08    -0.02   0.03   0.01
    16   1    -0.01  -0.03   0.19    -0.30  -0.12   0.35     0.06  -0.05   0.45
    17   1    -0.07  -0.10   0.56     0.10  -0.04   0.36    -0.11  -0.10   0.48
    18   1    -0.02  -0.04   0.21    -0.28  -0.03   0.36     0.05  -0.10   0.45
    19   1    -0.05  -0.10   0.51     0.04   0.05   0.10    -0.02  -0.03   0.02
    20   1     0.00  -0.01   0.00     0.06  -0.22  -0.01    -0.04   0.14   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.4258               861.6440               920.2131
 Red. masses --      1.2898                 1.6641                 1.5161
 Frc consts  --      0.5574                 0.7279                 0.7564
 IR Inten    --     16.1762                98.9314                22.1301
 RamAct Fr= 1--      1.1574                 0.4187                 3.2280
  Dep-P Fr= 1--      0.6552                 0.5109                 0.5225
  Dep-U Fr= 1--      0.7917                 0.6763                 0.6864
 Alpha2 Fr= 1--      0.0020                 0.0020                 0.0143
 Beta2  Fr= 1--      0.1527                 0.0472                 0.3693
 AlphaG Fr= 1--     -0.0009                 0.0007                -0.0401
 Gamma2 Fr= 1--      0.0089                -0.1140                -2.1179
 Delta2 Fr= 1--     -0.0940                 0.0235                -1.5867
 Raman1 Fr= 1--       4.630                  1.675                 12.912
 ROA1   Fr= 1--      -2.156                -10.195               -254.092
 CID1   Fr= 1--      -0.466                 -6.087                -19.679
 Raman2 Fr= 1--       1.833                  0.566                  4.431
 ROA2   Fr= 1--       0.965                 -2.926                -38.135
 CID2   Fr= 1--       0.527                 -5.165                 -8.606
 Raman3 Fr= 1--       3.665                  1.133                  8.863
 ROA3   Fr= 1--      -2.156                -10.195               -254.092
 CID3   Fr= 1--      -0.588                 -9.001                -28.670
 RC180  Fr= 1--       0.583                  0.353                  0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.07    -0.02   0.03  -0.03    -0.02   0.03   0.01
     2   6     0.01   0.01  -0.08    -0.01   0.03  -0.03    -0.01   0.01  -0.00
     3   6    -0.00  -0.00   0.01     0.01  -0.00   0.00     0.03   0.01   0.00
     4   6    -0.01  -0.00   0.06    -0.01  -0.02   0.02    -0.01  -0.03  -0.00
     5   6    -0.00  -0.01   0.07    -0.01  -0.03   0.03    -0.03  -0.04  -0.02
     6   6    -0.00  -0.00   0.01     0.02  -0.00   0.01     0.02   0.01   0.00
     7   6    -0.02   0.01   0.01     0.07  -0.02  -0.05     0.10   0.02  -0.05
     8   7    -0.01  -0.05   0.02     0.02   0.16  -0.06    -0.06   0.04   0.03
     9   6     0.01   0.02  -0.02    -0.03  -0.07   0.06     0.00  -0.14   0.03
    10   1     0.09   0.19  -0.08    -0.25  -0.51   0.23     0.04   0.41  -0.13
    11   1    -0.02   0.02   0.01     0.09  -0.04  -0.04     0.20   0.25  -0.16
    12   1     0.01   0.03  -0.02    -0.03  -0.06   0.06     0.02   0.27  -0.12
    13   1     0.01   0.02  -0.02    -0.07  -0.09   0.11    -0.29  -0.30   0.50
    14   1     0.02   0.03  -0.03    -0.03  -0.07   0.07    -0.03   0.20   0.08
    15   1     0.04   0.06  -0.44    -0.00  -0.00  -0.17    -0.00  -0.03  -0.02
    16   1     0.07   0.08  -0.46    -0.01   0.03  -0.23    -0.09  -0.02   0.04
    17   1     0.00   0.01  -0.04     0.02  -0.01  -0.03     0.01   0.03   0.01
    18   1    -0.04  -0.09   0.44    -0.08  -0.03   0.20    -0.04   0.03  -0.06
    19   1    -0.04  -0.09   0.48    -0.03  -0.02   0.22    -0.03   0.03  -0.00
    20   1     0.03   0.16  -0.14    -0.08  -0.45   0.35     0.00   0.18  -0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    923.5110               962.3217               977.5367
 Red. masses --      1.3848                 1.3371                 1.2443
 Frc consts  --      0.6959                 0.7296                 0.7005
 IR Inten    --      1.9609                 0.6079                 0.3103
 RamAct Fr= 1--      1.4708                 0.2136                 0.4632
  Dep-P Fr= 1--      0.2695                 0.2249                 0.1254
  Dep-U Fr= 1--      0.4245                 0.3672                 0.2228
 Alpha2 Fr= 1--      0.0165                 0.0027                 0.0076
 Beta2  Fr= 1--      0.1041                 0.0131                 0.0172
 AlphaG Fr= 1--     -0.0210                 0.0079                 0.0077
 Gamma2 Fr= 1--     -1.2999                 0.5971                 0.1307
 Delta2 Fr= 1--      0.2499                -0.1048                -0.0090
 Raman1 Fr= 1--       5.883                  0.854                  1.853
 ROA1   Fr= 1--    -116.794                 53.973                 12.259
 CID1   Fr= 1--     -19.852                 63.171                  6.617
 Raman2 Fr= 1--       1.249                  0.157                  0.206
 ROA2   Fr= 1--     -33.196                 15.169                  3.208
 CID2   Fr= 1--     -26.583                 96.711                 15.544
 Raman3 Fr= 1--       2.498                  0.314                  0.413
 ROA3   Fr= 1--    -116.794                 53.973                 12.259
 CID3   Fr= 1--     -46.764                172.051                 29.697
 RC180  Fr= 1--      -0.151                 -0.266                 -0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.01   0.02  -0.10     0.00   0.01  -0.04
     2   6    -0.01  -0.02   0.10    -0.01  -0.02   0.09    -0.00  -0.00   0.01
     3   6     0.01   0.01  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.01  -0.01   0.09     0.01   0.01  -0.07    -0.01  -0.01   0.07
     5   6     0.00  -0.00   0.01    -0.01  -0.01   0.05     0.01   0.02  -0.09
     6   6     0.02   0.02  -0.10    -0.01  -0.00   0.03     0.00  -0.01   0.07
     7   6     0.01   0.01  -0.01     0.00   0.00   0.00     0.00   0.00  -0.01
     8   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.01  -0.00   0.02    -0.01  -0.01  -0.00     0.00   0.00   0.01
    10   1    -0.00  -0.00   0.00     0.01   0.04  -0.01     0.00  -0.02   0.01
    11   1    -0.09  -0.05   0.03     0.02   0.02  -0.01    -0.02  -0.03   0.01
    12   1    -0.09  -0.08   0.06     0.01   0.02  -0.01    -0.03  -0.03   0.03
    13   1    -0.04  -0.02  -0.02     0.00  -0.00   0.02    -0.01  -0.00  -0.02
    14   1     0.02   0.06  -0.10    -0.01   0.00   0.02     0.01   0.01  -0.04
    15   1     0.02   0.05  -0.50    -0.01  -0.04   0.39     0.01   0.04  -0.47
    16   1     0.01   0.02  -0.11     0.02   0.05  -0.27    -0.06  -0.10   0.61
    17   1    -0.06  -0.11   0.61     0.02   0.05  -0.20     0.06   0.07  -0.45
    18   1    -0.02  -0.01   0.04    -0.06  -0.11   0.62    -0.05  -0.07   0.33
    19   1     0.04   0.10  -0.50     0.04   0.10  -0.53     0.01   0.03  -0.16
    20   1     0.00   0.00  -0.01     0.00   0.01  -0.01    -0.00   0.01  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1018.1085              1025.8200              1055.3457
 Red. masses --      1.5503                 6.1378                 2.3340
 Frc consts  --      0.9468                 3.8055                 1.5316
 IR Inten    --      3.3905                 0.0287                 7.2901
 RamAct Fr= 1--      3.4306                50.2046                22.6681
  Dep-P Fr= 1--      0.4405                 0.0625                 0.0651
  Dep-U Fr= 1--      0.6116                 0.1176                 0.1222
 Alpha2 Fr= 1--      0.0218                 0.9626                 0.4319
 Beta2  Fr= 1--      0.3497                 0.9841                 0.4618
 AlphaG Fr= 1--      0.0144                -0.0737                -0.0262
 Gamma2 Fr= 1--      1.0593                -0.2582                -1.0477
 Delta2 Fr= 1--      0.8079                -0.0837                -0.7281
 Raman1 Fr= 1--      13.722                200.819                 90.672
 ROA1   Fr= 1--     127.541                -27.468               -123.879
 CID1   Fr= 1--       9.294                 -0.137                 -1.366
 Raman2 Fr= 1--       4.196                 11.809                  5.542
 ROA2   Fr= 1--      18.959                 -5.528                -19.320
 CID2   Fr= 1--       4.518                 -0.468                 -3.486
 Raman3 Fr= 1--       8.392                 23.617                 11.083
 ROA3   Fr= 1--     127.541                -27.468               -123.879
 CID3   Fr= 1--      15.198                 -1.163                -11.177
 RC180  Fr= 1--       0.223                 -0.765                 -0.756
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.03   0.05   0.00    -0.05   0.20   0.03
     2   6    -0.01  -0.01   0.01    -0.16  -0.36  -0.08     0.05  -0.06  -0.01
     3   6     0.03   0.01  -0.05    -0.00   0.01   0.01     0.05   0.00   0.01
     4   6    -0.00  -0.00   0.02    -0.21   0.34   0.02     0.05   0.06   0.02
     5   6    -0.02  -0.02  -0.01    -0.01  -0.05  -0.00    -0.03  -0.20  -0.04
     6   6     0.01   0.00  -0.00     0.37   0.02   0.04    -0.14  -0.01  -0.02
     7   6     0.02   0.12   0.02     0.01  -0.00   0.01     0.01   0.00  -0.04
     8   7     0.06  -0.09   0.01     0.00  -0.00  -0.00    -0.02  -0.01   0.00
     9   6    -0.13  -0.01  -0.01     0.02  -0.00  -0.00    -0.02   0.01   0.03
    10   1    -0.08   0.10  -0.07     0.01   0.00  -0.00     0.07  -0.07   0.02
    11   1     0.15   0.35  -0.10    -0.00  -0.00   0.01     0.03  -0.09  -0.00
    12   1     0.27   0.09  -0.11    -0.01   0.01  -0.00    -0.04  -0.11   0.07
    13   1     0.26   0.15  -0.01    -0.02  -0.02   0.03     0.04   0.04  -0.10
    14   1    -0.17  -0.39   0.49     0.02   0.03  -0.04    -0.00  -0.05  -0.01
    15   1     0.02   0.02  -0.11    -0.15   0.39   0.13     0.31   0.22   0.04
    16   1    -0.03  -0.02   0.01     0.03  -0.04  -0.05     0.29  -0.37  -0.01
    17   1     0.00   0.03   0.03     0.38   0.02   0.06    -0.15  -0.01  -0.02
    18   1     0.00   0.02  -0.02     0.01   0.05   0.01     0.26   0.40   0.11
    19   1    -0.01   0.00  -0.04    -0.09  -0.41  -0.08     0.35  -0.20  -0.00
    20   1     0.09  -0.39  -0.02     0.00   0.03   0.00    -0.02   0.17  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1072.7762              1107.0832              1123.3241
 Red. masses --      2.2777                 1.6577                 1.8784
 Frc consts  --      1.5444                 1.1971                 1.3965
 IR Inten    --     20.4139                 3.1311                 3.1838
 RamAct Fr= 1--     10.3685                 1.9093                11.6790
  Dep-P Fr= 1--      0.3843                 0.2353                 0.1212
  Dep-U Fr= 1--      0.5552                 0.3810                 0.2162
 Alpha2 Fr= 1--      0.0812                 0.0236                 0.1941
 Beta2  Fr= 1--      0.9595                 0.1212                 0.4209
 AlphaG Fr= 1--     -0.0760                 0.0491                 0.0469
 Gamma2 Fr= 1--     -0.4779                -0.8089                 0.5737
 Delta2 Fr= 1--      0.7181                -0.3002                -0.3538
 Raman1 Fr= 1--      41.474                  7.637                 46.716
 ROA1   Fr= 1--     -22.896                -87.258                 43.752
 CID1   Fr= 1--      -0.552                -11.425                  0.937
 Raman2 Fr= 1--      11.514                  1.455                  5.051
 ROA2   Fr= 1--     -17.213                -17.011                 16.599
 CID2   Fr= 1--      -1.495                -11.693                  3.286
 Raman3 Fr= 1--      23.027                  2.910                 10.102
 ROA3   Fr= 1--     -22.896                -87.258                 43.752
 CID3   Fr= 1--      -0.994                -29.990                  4.331
 RC180  Fr= 1--       0.110                 -0.238                 -0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.08  -0.05  -0.00     0.01   0.01   0.00
     2   6    -0.04  -0.02  -0.02    -0.08  -0.05  -0.02     0.06   0.01  -0.00
     3   6     0.02   0.04   0.05    -0.10   0.04   0.00    -0.12  -0.04   0.03
     4   6     0.03  -0.05  -0.02     0.09  -0.02   0.02    -0.06   0.03  -0.02
     5   6    -0.04  -0.01  -0.01    -0.01  -0.04  -0.01     0.06   0.05   0.02
     6   6     0.03   0.05   0.01    -0.04   0.07   0.01    -0.03  -0.05  -0.01
     7   6     0.04   0.18  -0.17    -0.06   0.02   0.04    -0.03   0.14  -0.07
     8   7    -0.02  -0.09   0.00     0.05  -0.01  -0.02     0.06  -0.06  -0.00
     9   6    -0.03  -0.01   0.15     0.05  -0.03  -0.03     0.05  -0.05   0.06
    10   1     0.24  -0.26   0.05    -0.11  -0.06   0.01    -0.09   0.06  -0.05
    11   1     0.15  -0.06  -0.09    -0.16   0.10   0.03    -0.33   0.29  -0.07
    12   1    -0.25  -0.42   0.34    -0.02   0.15  -0.08    -0.20  -0.04   0.10
    13   1    -0.01   0.02  -0.21    -0.13  -0.12   0.16    -0.18  -0.15   0.09
    14   1     0.02  -0.11  -0.13     0.04   0.18  -0.08     0.06   0.19  -0.19
    15   1     0.05  -0.05   0.08     0.48   0.23   0.01    -0.13  -0.01   0.05
    16   1    -0.23   0.09  -0.02    -0.08  -0.02   0.02     0.29  -0.06   0.02
    17   1     0.02   0.26   0.04    -0.06   0.46   0.07    -0.01  -0.31  -0.07
    18   1     0.03  -0.05  -0.01     0.34   0.10   0.06     0.02   0.01   0.02
    19   1    -0.23   0.05   0.06    -0.24   0.02  -0.02     0.37  -0.15   0.02
    20   1    -0.01   0.30  -0.06     0.04  -0.25   0.05     0.09  -0.38  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.6482              1205.2729              1209.3653
 Red. masses --      1.1198                 1.4847                 1.1355
 Frc consts  --      0.9259                 1.2708                 0.9785
 IR Inten    --      0.2356                 5.1110                 1.0457
 RamAct Fr= 1--      3.7211                 1.5694                 6.4199
  Dep-P Fr= 1--      0.7499                 0.4885                 0.4737
  Dep-U Fr= 1--      0.8571                 0.6564                 0.6429
 Alpha2 Fr= 1--      0.0000                 0.0082                 0.0357
 Beta2  Fr= 1--      0.5316                 0.1717                 0.6879
 AlphaG Fr= 1--     -0.0000                -0.0069                 0.0291
 Gamma2 Fr= 1--      0.1586                -1.8599                 0.1229
 Delta2 Fr= 1--      0.1258                -0.2965                 0.2924
 Raman1 Fr= 1--      14.885                  6.277                 25.679
 ROA1   Fr= 1--      19.257               -188.037                 21.158
 CID1   Fr= 1--       1.294                -29.954                  0.824
 Raman2 Fr= 1--       6.379                  2.060                  8.254
 ROA2   Fr= 1--       2.801                -42.266                  0.611
 CID2   Fr= 1--       0.439                -20.515                  0.074
 Raman3 Fr= 1--      12.758                  4.120                 16.509
 ROA3   Fr= 1--      19.257               -188.037                 21.158
 CID3   Fr= 1--       1.509                -45.636                  1.282
 RC180  Fr= 1--       0.714                  0.313                  0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.01     0.02  -0.02  -0.00    -0.04  -0.03  -0.01
     2   6     0.01  -0.01   0.00     0.02  -0.02   0.01     0.05  -0.03   0.00
     3   6    -0.01   0.00  -0.01    -0.09   0.06  -0.05    -0.03   0.00  -0.00
     4   6    -0.01  -0.01  -0.00    -0.04  -0.03  -0.00     0.04   0.03   0.01
     5   6     0.05  -0.02   0.00     0.03   0.02   0.01    -0.04   0.03  -0.00
     6   6    -0.01   0.06   0.01    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
     7   6    -0.00   0.01   0.01    -0.02   0.08   0.10     0.01  -0.00  -0.00
     8   7    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.01  -0.03  -0.03    -0.01  -0.00   0.00
    10   1     0.02  -0.03   0.01     0.18  -0.43   0.12    -0.00   0.00   0.00
    11   1     0.06  -0.01   0.01     0.61  -0.09   0.05     0.05  -0.03   0.00
    12   1     0.01   0.02  -0.01     0.04   0.12  -0.08     0.01   0.01  -0.00
    13   1    -0.00  -0.01   0.01    -0.02  -0.05   0.14     0.02   0.01  -0.01
    14   1    -0.00   0.01   0.01    -0.01   0.11   0.07    -0.01   0.01   0.01
    15   1    -0.15  -0.10  -0.02    -0.08  -0.05  -0.05     0.44   0.28   0.05
    16   1     0.45  -0.23   0.01     0.03   0.02  -0.00    -0.41   0.22  -0.00
    17   1    -0.04   0.63   0.11     0.00  -0.20  -0.03    -0.01  -0.02  -0.00
    18   1    -0.40  -0.25  -0.09     0.18   0.08   0.03    -0.39  -0.25  -0.09
    19   1     0.20  -0.10  -0.00     0.20  -0.12  -0.02     0.47  -0.24  -0.00
    20   1    -0.01   0.03   0.01    -0.08   0.35   0.08     0.00   0.00  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1238.3137              1330.5392              1337.8429
 Red. masses --      2.5220                 1.3551                 4.4957
 Frc consts  --      2.2785                 1.4135                 4.7408
 IR Inten    --      8.3355                 7.9831                 1.3839
 RamAct Fr= 1--     17.2262                14.3487                 2.7125
  Dep-P Fr= 1--      0.0646                 0.3447                 0.1423
  Dep-U Fr= 1--      0.1214                 0.5127                 0.2491
 Alpha2 Fr= 1--      0.3286                 0.1281                 0.0428
 Beta2  Fr= 1--      0.3487                 1.2261                 0.1126
 AlphaG Fr= 1--     -0.1988                -0.0803                 0.0256
 Gamma2 Fr= 1--      0.5340                -1.8518                 0.6011
 Delta2 Fr= 1--      0.6364                -1.0920                -0.0110
 Raman1 Fr= 1--      68.905                 57.395                 10.850
 ROA1   Fr= 1--      71.627               -212.714                 57.351
 CID1   Fr= 1--       1.040                 -3.706                  5.286
 Raman2 Fr= 1--       4.184                 14.713                  1.351
 ROA2   Fr= 1--       7.724                -35.706                 14.513
 CID2   Fr= 1--       1.846                 -2.427                 10.740
 Raman3 Fr= 1--       8.368                 29.426                  2.703
 ROA3   Fr= 1--      71.627               -212.714                 57.351
 CID3   Fr= 1--       8.560                 -7.229                 21.221
 RC180  Fr= 1--      -0.757                  0.025                 -0.502
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.00     0.01   0.02   0.00    -0.19  -0.11  -0.04
     2   6     0.04  -0.00   0.00    -0.01   0.00   0.00     0.17  -0.10  -0.00
     3   6     0.23   0.00   0.04     0.03  -0.02  -0.03     0.04   0.32   0.06
     4   6     0.05   0.02   0.01     0.02   0.01   0.01    -0.12  -0.11  -0.03
     5   6    -0.07  -0.05  -0.02    -0.02   0.00  -0.00     0.17  -0.13  -0.00
     6   6     0.01  -0.01  -0.00     0.00  -0.02  -0.00    -0.01   0.18   0.03
     7   6    -0.17   0.12   0.07    -0.11  -0.09   0.02    -0.07  -0.09  -0.04
     8   7     0.03  -0.06  -0.07     0.01   0.00  -0.01     0.04   0.02   0.03
     9   6     0.05  -0.05  -0.06     0.05   0.04   0.05     0.01   0.02   0.02
    10   1     0.06  -0.40   0.08    -0.07   0.01  -0.01    -0.16   0.25  -0.06
    11   1    -0.45   0.12   0.13     0.51   0.66  -0.39    -0.11   0.07  -0.10
    12   1    -0.07   0.18  -0.11    -0.15  -0.11   0.13    -0.03  -0.01   0.03
    13   1    -0.15  -0.15   0.22    -0.10  -0.01  -0.14    -0.06   0.00  -0.10
    14   1     0.02   0.20   0.02     0.08   0.01  -0.15     0.02  -0.05  -0.06
    15   1    -0.20  -0.14  -0.02    -0.01  -0.01  -0.02    -0.21  -0.17  -0.03
    16   1    -0.26   0.05  -0.02    -0.01  -0.00  -0.00    -0.46   0.18  -0.03
    17   1     0.01  -0.01  -0.00    -0.00   0.03   0.00     0.00  -0.13  -0.02
    18   1    -0.30  -0.09  -0.04    -0.06  -0.02  -0.01     0.30   0.19   0.07
    19   1    -0.08   0.07  -0.00    -0.01   0.01  -0.02     0.11  -0.07   0.00
    20   1    -0.05   0.09   0.14    -0.01  -0.03   0.05     0.06  -0.25   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1361.5267              1406.4366              1413.6672
 Red. masses --      1.4414                 1.2308                 1.3310
 Frc consts  --      1.5743                 1.4345                 1.5672
 IR Inten    --      0.4732                 6.9771                13.0961
 RamAct Fr= 1--      0.5368                 1.8266                 5.1109
  Dep-P Fr= 1--      0.5897                 0.5963                 0.7173
  Dep-U Fr= 1--      0.7419                 0.7471                 0.8354
 Alpha2 Fr= 1--      0.0016                 0.0052                 0.0029
 Beta2  Fr= 1--      0.0664                 0.2275                 0.7116
 AlphaG Fr= 1--     -0.0075                 0.0068                 0.0133
 Gamma2 Fr= 1--     -0.0262                 0.2374                -0.3676
 Delta2 Fr= 1--     -0.0384                -0.3048                 1.3396
 Raman1 Fr= 1--       2.147                  7.307                 20.444
 ROA1   Fr= 1--      -3.746                 13.040                  7.579
 CID1   Fr= 1--      -1.745                  1.785                  0.371
 Raman2 Fr= 1--       0.796                  2.729                  8.539
 ROA2   Fr= 1--      -0.322                  8.137                -19.538
 CID2   Fr= 1--      -0.404                  2.981                 -2.288
 Raman3 Fr= 1--       1.593                  5.459                 17.079
 ROA3   Fr= 1--      -3.746                 13.040                  7.579
 CID3   Fr= 1--      -2.351                  2.389                  0.444
 RC180  Fr= 1--       0.484                  0.494                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00     0.01   0.00   0.00    -0.01  -0.02  -0.00
     2   6    -0.10   0.03  -0.01    -0.01   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.01   0.06   0.01     0.00   0.00  -0.00    -0.03   0.01   0.01
     4   6     0.10   0.04   0.02     0.01   0.00   0.00    -0.01  -0.00  -0.00
     5   6    -0.02  -0.00  -0.00    -0.01   0.00   0.00     0.03  -0.00   0.00
     6   6     0.01  -0.10  -0.02    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.02  -0.02    -0.04   0.01  -0.02     0.11  -0.05   0.05
     8   7     0.01   0.00   0.01     0.01   0.01   0.02    -0.03  -0.02  -0.05
     9   6    -0.01  -0.01   0.01     0.06   0.07  -0.09    -0.01   0.05  -0.04
    10   1    -0.04   0.09  -0.02    -0.04   0.12  -0.02     0.13  -0.24   0.04
    11   1    -0.04  -0.07   0.01     0.18  -0.26   0.05    -0.47   0.56  -0.07
    12   1     0.02   0.06  -0.02    -0.32  -0.38   0.16     0.03  -0.32   0.10
    13   1     0.04   0.02  -0.05    -0.35  -0.16   0.37    -0.02   0.01   0.27
    14   1    -0.00   0.04  -0.04    -0.00  -0.31   0.43    -0.01  -0.15   0.13
    15   1    -0.48  -0.32  -0.07    -0.02  -0.01  -0.01     0.00   0.01   0.00
    16   1    -0.28   0.12  -0.01    -0.01   0.00  -0.00    -0.05   0.04   0.00
    17   1    -0.02   0.31   0.05    -0.00   0.01   0.00    -0.00   0.07   0.01
    18   1     0.25   0.13   0.05    -0.01  -0.00  -0.00     0.10   0.05   0.02
    19   1     0.49  -0.27  -0.00     0.04  -0.02  -0.01     0.10  -0.04   0.00
    20   1     0.01  -0.05   0.01     0.04  -0.13  -0.03    -0.08   0.30   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1483.9408              1491.0866              1498.3194
 Red. masses --      1.7018                 1.2132                 1.0754
 Frc consts  --      2.2080                 1.5892                 1.4224
 IR Inten    --      8.6459                 1.6731                 5.4576
 RamAct Fr= 1--      1.5140                 4.8012                 3.5640
  Dep-P Fr= 1--      0.7447                 0.7329                 0.5846
  Dep-U Fr= 1--      0.8537                 0.8459                 0.7378
 Alpha2 Fr= 1--      0.0001                 0.0014                 0.0110
 Beta2  Fr= 1--      0.2154                 0.6769                 0.4383
 AlphaG Fr= 1--      0.0021                 0.0094                 0.0177
 Gamma2 Fr= 1--      4.1283                -1.2350                 0.1472
 Delta2 Fr= 1--     -1.7056                 0.1722                 0.7098
 Raman1 Fr= 1--       6.056                 19.205                 14.256
 ROA1   Fr= 1--     341.735               -113.050                 36.842
 CID1   Fr= 1--      56.429                 -5.887                  2.584
 Raman2 Fr= 1--       2.585                  8.122                  5.259
 ROA2   Fr= 1--     112.724                -31.017                 -2.146
 CID2   Fr= 1--      43.608                 -3.819                 -0.408
 Raman3 Fr= 1--       5.170                 16.245                 10.519
 ROA3   Fr= 1--     341.735               -113.050                 36.842
 CID3   Fr= 1--      66.102                 -6.959                  3.502
 RC180  Fr= 1--       0.707                  0.692                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.01    -0.05   0.01  -0.00    -0.01   0.01  -0.00
     2   6     0.05   0.05   0.02     0.04   0.02   0.01     0.02  -0.00   0.00
     3   6     0.02  -0.12  -0.02     0.00  -0.06  -0.01     0.00  -0.02  -0.00
     4   6    -0.08   0.03  -0.00    -0.03   0.02   0.00    -0.00   0.01   0.00
     5   6     0.11   0.01   0.01     0.05   0.00   0.01     0.02  -0.00   0.00
     6   6     0.01  -0.09  -0.01    -0.00  -0.05  -0.01    -0.00  -0.01  -0.00
     7   6     0.01   0.02   0.00    -0.02   0.04   0.01    -0.04   0.00  -0.02
     8   7    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.01
     9   6     0.03  -0.03  -0.00    -0.02   0.04   0.02    -0.03  -0.01  -0.03
    10   1     0.05  -0.04   0.01    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    11   1     0.06   0.00  -0.00     0.09  -0.09   0.04     0.12  -0.05  -0.03
    12   1    -0.42   0.18   0.00     0.55  -0.06  -0.05     0.16  -0.45   0.11
    13   1     0.10   0.03  -0.25    -0.31  -0.12   0.19     0.47   0.17   0.46
    14   1    -0.05   0.19   0.33     0.10  -0.39  -0.49    -0.04   0.47  -0.10
    15   1     0.11   0.16   0.03     0.01   0.06   0.01    -0.02   0.01  -0.00
    16   1    -0.22   0.19   0.01    -0.14   0.11   0.00    -0.06   0.04  -0.00
    17   1    -0.02   0.47   0.08    -0.02   0.23   0.04    -0.01   0.07   0.01
    18   1     0.26   0.23   0.07     0.07   0.09   0.03    -0.00   0.02   0.00
    19   1    -0.05   0.12   0.02    -0.05   0.07  -0.00    -0.06   0.03   0.01
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.01     0.02  -0.08   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1535.5593              1627.7437              1650.0400
 Red. masses --      2.1856                 5.4534                 4.4728
 Frc consts  --      3.0364                 8.5132                 7.1750
 IR Inten    --     12.7143                 1.2919                 3.0045
 RamAct Fr= 1--      0.4414                 8.1789                36.9680
  Dep-P Fr= 1--      0.7257                 0.7100                 0.6361
  Dep-U Fr= 1--      0.8410                 0.8304                 0.7776
 Alpha2 Fr= 1--      0.0002                 0.0057                 0.0763
 Beta2  Fr= 1--      0.0619                 1.1320                 4.7908
 AlphaG Fr= 1--     -0.0025                 0.0135                 0.0412
 Gamma2 Fr= 1--     -0.7845                -0.5592                -2.0371
 Delta2 Fr= 1--      0.2522                 0.1810                -1.2152
 Raman1 Fr= 1--       1.766                 32.716                147.872
 ROA1   Fr= 1--     -67.244                -47.893               -234.450
 CID1   Fr= 1--     -38.084                 -1.464                 -1.585
 Raman2 Fr= 1--       0.743                 13.584                 57.490
 ROA2   Fr= 1--     -20.845                -14.869                -39.169
 CID2   Fr= 1--     -28.074                 -1.095                 -0.681
 Raman3 Fr= 1--       1.485                 27.167                114.980
 ROA3   Fr= 1--     -67.244                -47.893               -234.450
 CID3   Fr= 1--     -45.281                 -1.763                 -2.039
 RC180  Fr= 1--       0.682                  0.661                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.11  -0.03    -0.06  -0.20  -0.04    -0.24  -0.06  -0.04
     2   6    -0.08   0.09   0.01    -0.10   0.17   0.02     0.27  -0.07   0.02
     3   6     0.14   0.01   0.02     0.00  -0.29  -0.05    -0.19  -0.00  -0.02
     4   6    -0.06  -0.10  -0.02     0.10   0.20   0.04     0.24   0.08   0.04
     5   6    -0.12   0.09   0.00     0.08  -0.21  -0.03    -0.24   0.06  -0.02
     6   6     0.10   0.01   0.01    -0.02   0.36   0.06     0.12  -0.01   0.01
     7   6    -0.04   0.00  -0.01    -0.01   0.04   0.01     0.02  -0.01   0.01
     8   7     0.00   0.00   0.00    -0.01   0.00  -0.00    -0.03   0.02   0.01
     9   6    -0.01   0.00   0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    10   1    -0.03   0.01  -0.00     0.09  -0.03   0.01     0.33  -0.11   0.04
    11   1    -0.01  -0.02   0.00     0.12  -0.02   0.01     0.02   0.04  -0.01
    12   1     0.09  -0.05   0.00     0.02  -0.01   0.00    -0.02   0.00   0.00
    13   1     0.01  -0.00   0.08    -0.02  -0.02   0.03    -0.01  -0.00  -0.01
    14   1     0.01   0.01  -0.09     0.01   0.00  -0.03     0.00  -0.02   0.02
    15   1     0.39   0.17   0.05    -0.33  -0.06  -0.03    -0.25  -0.24  -0.05
    16   1     0.44  -0.18   0.02    -0.25  -0.06  -0.04     0.22  -0.18  -0.00
    17   1     0.13  -0.02   0.01     0.02  -0.49  -0.09     0.13   0.03   0.02
    18   1     0.42   0.20   0.08     0.23  -0.04   0.02     0.19   0.21   0.06
    19   1     0.44  -0.16   0.01     0.29  -0.02   0.02    -0.30   0.22   0.01
    20   1     0.00  -0.02   0.01     0.01  -0.02  -0.05     0.08  -0.19  -0.26
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1658.2903              3013.5170              3025.4565
 Red. masses --      1.1455                 1.0828                 1.0358
 Frc consts  --      1.8559                 5.7936                 5.5859
 IR Inten    --     42.3108                13.9617                28.9157
 RamAct Fr= 1--      8.0795               182.5097               155.0460
  Dep-P Fr= 1--      0.4903                 0.1531                 0.0320
  Dep-U Fr= 1--      0.6580                 0.2655                 0.0619
 Alpha2 Fr= 1--      0.0417                 2.7994                 3.1966
 Beta2  Fr= 1--      0.8861                 8.0765                 1.6001
 AlphaG Fr= 1--     -0.0270                 2.9843                -1.1772
 Gamma2 Fr= 1--      1.4908                12.3782                 0.1782
 Delta2 Fr= 1--      1.8750                 8.4806                 0.2027
 Raman1 Fr= 1--      32.318                730.039                620.184
 ROA1   Fr= 1--     203.113               1459.692                 23.594
 CID1   Fr= 1--       6.285                  1.999                  0.038
 Raman2 Fr= 1--      10.633                 96.918                 19.201
 ROA2   Fr= 1--      20.779                229.233                  2.655
 CID2   Fr= 1--       1.954                  2.365                  0.138
 Raman3 Fr= 1--      21.266                193.836                 38.403
 ROA3   Fr= 1--     203.113               1459.692                 23.594
 CID3   Fr= 1--       9.551                  7.531                  0.614
 RC180  Fr= 1--       0.316                 -0.469                 -0.876
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.03   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.03   0.02   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.03  -0.01  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6     0.02  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6    -0.02  -0.01   0.02    -0.01  -0.03  -0.07     0.00   0.00   0.01
     8   7    -0.05   0.05   0.02     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.01    -0.03  -0.02   0.04
    10   1     0.66  -0.21   0.08    -0.00  -0.00  -0.02     0.00  -0.00   0.00
    11   1    -0.01   0.04  -0.01     0.17   0.35   0.89    -0.02  -0.05  -0.12
    12   1     0.03   0.01  -0.01    -0.03  -0.07  -0.18    -0.11  -0.22  -0.57
    13   1    -0.01  -0.00   0.01    -0.00   0.01   0.00    -0.20   0.42   0.04
    14   1     0.01   0.00  -0.03     0.01   0.00   0.00     0.60   0.04   0.10
    15   1     0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1    -0.02   0.02  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.03  -0.03  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.04  -0.03  -0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.00
    20   1     0.17  -0.43  -0.53    -0.00  -0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8138              3100.6079              3161.3301
 Red. masses --      1.1026                 1.1003                 1.0852
 Frc consts  --      6.1982                 6.2323                 6.3902
 IR Inten    --     39.7956                28.3155                 5.8156
 RamAct Fr= 1--    109.9264                54.2096                32.8820
  Dep-P Fr= 1--      0.5523                 0.6988                 0.6802
  Dep-U Fr= 1--      0.7116                 0.8227                 0.8097
 Alpha2 Fr= 1--      0.4147                 0.0484                 0.0405
 Beta2  Fr= 1--     13.0376                 7.4329                 4.4374
 AlphaG Fr= 1--     -0.0376                 0.0115                -0.0771
 Gamma2 Fr= 1--     -8.8283                -4.8289                -2.0906
 Delta2 Fr= 1--     -7.5725                -0.3054                -0.2056
 Raman1 Fr= 1--     439.706                216.838                131.528
 ROA1   Fr= 1--   -1089.831               -473.345               -207.277
 CID1   Fr= 1--      -2.479                 -2.183                 -1.576
 Raman2 Fr= 1--     156.451                 89.195                 53.248
 ROA2   Fr= 1--    -151.298               -113.449                -48.529
 CID2   Fr= 1--      -0.967                 -1.272                 -0.911
 Raman3 Fr= 1--     312.903                178.390                106.497
 ROA3   Fr= 1--   -1089.831               -473.345               -207.277
 CID3   Fr= 1--      -3.483                 -2.653                 -1.946
 RC180  Fr= 1--       0.423                  0.645                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02   0.04   0.00
     2   6     0.00   0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.01
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.00   0.00
     7   6    -0.00  -0.00  -0.01     0.00  -0.00  -0.01    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.07  -0.02  -0.06     0.05  -0.07  -0.03     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1     0.02   0.05   0.12     0.01   0.02   0.06     0.00   0.00   0.01
    12   1     0.09   0.23   0.62     0.07   0.11   0.33     0.00   0.00   0.01
    13   1    -0.00  -0.04  -0.02    -0.36   0.80   0.06    -0.02   0.05   0.00
    14   1     0.72   0.05   0.10    -0.28  -0.04  -0.05    -0.01  -0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03  -0.04  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.11   0.22   0.05
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.33  -0.01  -0.04
    18   1     0.00  -0.00  -0.00    -0.01   0.01   0.00     0.30  -0.46  -0.05
    19   1    -0.00  -0.00  -0.00    -0.03  -0.06  -0.01     0.31   0.63   0.15
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3169.2611              3179.3424              3192.0255
 Red. masses --      1.0872                 1.0919                 1.0961
 Frc consts  --      6.4339                 6.5028                 6.5802
 IR Inten    --      1.3949                27.3939                19.9980
 RamAct Fr= 1--    128.3341                69.9742               238.7594
  Dep-P Fr= 1--      0.5966                 0.7008                 0.1102
  Dep-U Fr= 1--      0.7474                 0.8241                 0.1986
 Alpha2 Fr= 1--      0.3653                 0.0600                 4.0765
 Beta2  Fr= 1--     15.9853                 9.6106                 7.9022
 AlphaG Fr= 1--     -0.0856                -0.1176                -0.3390
 Gamma2 Fr= 1--      3.6189                 0.3649                -2.2339
 Delta2 Fr= 1--      1.8627                 2.5107                -3.3526
 Raman1 Fr= 1--     513.336                279.897                955.038
 ROA1   Fr= 1--     407.023                115.371               -321.740
 CID1   Fr= 1--       0.793                  0.412                 -0.337
 Raman2 Fr= 1--     191.824                115.328                 94.827
 ROA2   Fr= 1--      71.953                -11.328                -26.793
 CID2   Fr= 1--       0.375                 -0.098                 -0.283
 Raman3 Fr= 1--     383.647                230.655                189.653
 ROA3   Fr= 1--     407.023                115.371               -321.740
 CID3   Fr= 1--       1.061                  0.500                 -1.696
 RC180  Fr= 1--       0.495                  0.648                 -0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.03  -0.04  -0.00    -0.03   0.04   0.01
     2   6     0.02   0.04   0.01    -0.02  -0.03  -0.01     0.01   0.02   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.01   0.01   0.00    -0.00   0.01   0.00    -0.01   0.01   0.00
     5   6    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01    -0.01  -0.03  -0.01
     6   6     0.04   0.00   0.01    -0.03   0.00  -0.00    -0.06  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.03  -0.00    -0.01   0.02   0.00     0.00  -0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   1     0.08  -0.13  -0.01     0.07  -0.12  -0.01     0.11  -0.17  -0.01
    16   1     0.31   0.62   0.14     0.23   0.45   0.10     0.13   0.27   0.06
    17   1    -0.49  -0.02  -0.06     0.34   0.01   0.04     0.71   0.03   0.08
    18   1     0.00  -0.00   0.00    -0.34   0.52   0.06     0.29  -0.46  -0.05
    19   1    -0.21  -0.42  -0.10     0.20   0.39   0.09    -0.10  -0.19  -0.04
    20   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3207.9651              3472.4785              3554.5498
 Red. masses --      1.0917                 1.0507                 1.0906
 Frc consts  --      6.6195                 7.4647                 8.1188
 IR Inten    --      5.2912                 0.3909                 0.6503
 RamAct Fr= 1--    131.6842               138.5830                94.2923
  Dep-P Fr= 1--      0.1329                 0.0923                 0.5259
  Dep-U Fr= 1--      0.2346                 0.1691                 0.6893
 Alpha2 Fr= 1--      2.1254                 2.4722                 0.4104
 Beta2  Fr= 1--      5.1490                 3.9049                10.8323
 AlphaG Fr= 1--     -0.1835                 2.1633                -0.3742
 Gamma2 Fr= 1--      1.6759                 6.9225                 6.4588
 Delta2 Fr= 1--      0.3519                 4.2634                -2.3345
 Raman1 Fr= 1--     526.737                554.332                377.169
 ROA1   Fr= 1--     172.148                800.991                545.339
 CID1   Fr= 1--       0.327                  1.445                  1.446
 Raman2 Fr= 1--      61.788                 46.859                129.988
 ROA2   Fr= 1--      37.407                132.034                173.686
 CID2   Fr= 1--       0.605                  2.818                  1.336
 Raman3 Fr= 1--     123.576                 93.718                259.976
 ROA3   Fr= 1--     172.148                800.991                545.339
 CID3   Fr= 1--       1.393                  8.547                  2.098
 RC180  Fr= 1--      -0.531                 -0.662                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.04  -0.07  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01  -0.02  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.03  -0.02  -0.04    -0.06  -0.02  -0.05
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   1    -0.00  -0.00  -0.01     0.04   0.32   0.78    -0.00   0.19   0.49
    11   1    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.01   0.01
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    15   1    -0.51   0.80   0.05    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.12   0.23   0.05     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.10   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.03  -0.05  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   1    -0.01  -0.02  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    20   1    -0.00   0.00   0.00    -0.50  -0.03  -0.18     0.81   0.06   0.24

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   528.039191542.246921943.31143
           X            0.99994   0.01012  -0.00505
           Y           -0.01008   0.99991   0.00830
           Z            0.00513  -0.00825   0.99995
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16403     0.05616     0.04457
 Rotational constants (GHZ):           3.41782     1.17020     0.92869
 Zero-point vibrational energy     455950.5 (Joules/Mol)
                                  108.97479 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     55.16   202.72   326.51   361.92   373.66
          (Kelvin)            480.09   570.30   597.59   669.11   746.97
                              859.38   919.27  1026.44  1082.27  1119.39
                             1232.21  1239.71  1323.98  1328.73  1384.57
                             1406.46  1464.83  1475.93  1518.41  1543.49
                             1592.85  1616.21  1704.44  1734.12  1740.01
                             1781.66  1914.35  1924.86  1958.93  2023.55
                             2033.95  2135.06  2145.34  2155.75  2209.33
                             2341.96  2374.04  2385.91  4335.78  4352.96
                             4444.11  4461.08  4548.45  4559.86  4574.36
                             4592.61  4615.55  4996.12  5114.20
 
 Zero-point correction=                           0.173662 (Hartree/Particle)
 Thermal correction to Energy=                    0.182142
 Thermal correction to Enthalpy=                  0.183086
 Thermal correction to Gibbs Free Energy=         0.140222
 Sum of electronic and zero-point Energies=           -366.225232
 Sum of electronic and thermal Energies=              -366.216752
 Sum of electronic and thermal Enthalpies=            -366.215808
 Sum of electronic and thermal Free Energies=         -366.258672
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.296             32.999             90.214
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.850
 Vibrational            112.518             27.038             21.076
 Vibration     1          0.594              1.982              5.343
 Vibration     2          0.615              1.912              2.792
 Vibration     3          0.651              1.800              1.903
 Vibration     4          0.664              1.760              1.720
 Vibration     5          0.668              1.746              1.664
 Vibration     6          0.715              1.608              1.242
 Vibration     7          0.763              1.478              0.976
 Vibration     8          0.779              1.437              0.908
 Vibration     9          0.823              1.328              0.752
 Vibration    10          0.874              1.208              0.612
 Vibration    11          0.955              1.038              0.454
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.317921D-64        -64.497680       -148.511397
 Total V=0       0.240658D+16         15.381401         35.416985
 Vib (Bot)       0.134797D-77        -77.870319       -179.303036
 Vib (Bot)    1  0.539747D+01          0.732190          1.685930
 Vib (Bot)    2  0.144279D+01          0.159203          0.366580
 Vib (Bot)    3  0.869067D+00         -0.060947         -0.140335
 Vib (Bot)    4  0.775309D+00         -0.110525         -0.254494
 Vib (Bot)    5  0.747992D+00         -0.126103         -0.290363
 Vib (Bot)    6  0.558688D+00         -0.252830         -0.582164
 Vib (Bot)    7  0.450847D+00         -0.345971         -0.796627
 Vib (Bot)    8  0.424249D+00         -0.372380         -0.857436
 Vib (Bot)    9  0.364206D+00         -0.438652         -1.010035
 Vib (Bot)   10  0.311141D+00         -0.507042         -1.167508
 Vib (Bot)   11  0.250686D+00         -0.600869         -1.383553
 Vib (V=0)       0.102038D+03          2.008762          4.625346
 Vib (V=0)    1  0.592058D+01          0.772364          1.778434
 Vib (V=0)    2  0.202697D+01          0.306848          0.706544
 Vib (V=0)    3  0.150264D+01          0.176854          0.407221
 Vib (V=0)    4  0.142255D+01          0.153068          0.352453
 Vib (V=0)    5  0.139972D+01          0.146041          0.336271
 Vib (V=0)    6  0.124976D+01          0.096825          0.222948
 Vib (V=0)    7  0.117325D+01          0.069390          0.159776
 Vib (V=0)    8  0.115573D+01          0.062858          0.144735
 Vib (V=0)    9  0.111858D+01          0.048669          0.112064
 Vib (V=0)   10  0.108890D+01          0.036990          0.085172
 Vib (V=0)   11  0.105932D+01          0.025029          0.057631
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.450326D+06          5.653527         13.017727
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333 33                                              111 1111 11111 1111111111                                    
     5  4       2111110 00                                              666 5444 44333 2221110000999988  777  65  5 443  3222  1     
     5  7       0976608 21                                              552 3998 10633 3008207521762265  751  39  1 619  3652  4   3 
     5  2       8299119 54                                              808 6814 46281 8955373568824026  823  97  9 556  4027  1   8 
 
     X  X       XXXXXXX XX                                              XXX XXXX XXXXX XXXXXXXX XXXXXXX  XXX   X  X X X  XXXX  X   X 
                 XX  XX XX                                              X   X  X X   X X     X      XXX  XXX   X      X   XX         
                 XX  XX XX                                              X   X    X           X      XXX  XXX              XX         
                 XX  XX X                                               X                    X      XX   X X               X         
                  X  XX X                                               X                            X     X               X         
                  X  XX X                                               X                            X     X               X         
                      X                                                 X                            X     X                         
                      X                                                 X                            X     X                         
                                                                        X                            X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000019142   -0.000008689   -0.000002759
      2        6           0.000019496   -0.000009202    0.000000084
      3        6          -0.000005228    0.000026183    0.000008564
      4        6          -0.000009708   -0.000006748    0.000002181
      5        6           0.000017954   -0.000014374   -0.000002234
      6        6          -0.000003754    0.000020646    0.000002007
      7        6           0.000013547   -0.000023370   -0.000003121
      8        7          -0.000004167    0.000013031   -0.000006605
      9        6          -0.000000210    0.000004249   -0.000004161
     10        1          -0.000001731   -0.000001449    0.000008296
     11        1          -0.000002998    0.000001177   -0.000001633
     12        1           0.000001379   -0.000000241    0.000001918
     13        1           0.000002069    0.000002363   -0.000000501
     14        1           0.000000902    0.000000221    0.000000946
     15        1           0.000001241   -0.000003242   -0.000003045
     16        1          -0.000001187   -0.000000087   -0.000000091
     17        1          -0.000000722   -0.000000555    0.000000446
     18        1           0.000001207    0.000001662   -0.000002758
     19        1          -0.000002758    0.000000707   -0.000000261
     20        1          -0.000006191   -0.000002281    0.000002726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026183 RMS     0.000008194
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136014D+03  0.110229D+01  0.245182D+01
      2   0.110229D+01  0.110970D+03  0.442963D+01
      3   0.245182D+01  0.442963D+01  0.727058D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.866111D+00 -0.595545D+00  0.287160D+01
      2   0.124316D+02  0.116890D+02 -0.100848D+02
      3   0.114726D+01 -0.300453D+02 -0.116563D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.644663D+02  0.422268D+01  0.711711D+01
      2  -0.248112D+02 -0.788612D+01 -0.111539D+02
      3  -0.396552D+02  0.366344D+01  0.403684D+01
      4  -0.151220D+02  0.497638D+02  0.275759D+02
      5   0.204188D+02  0.291636D+02 -0.260594D+02
      6   0.103162D+02  0.770382D+01 -0.856608D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313627D+01 -0.158885D+00 -0.478651D+00 -0.599630D+01 -0.570895D+00
      2  -0.158885D+00  0.238806D+01  0.774348D+00 -0.570895D+00 -0.551801D+00
      3  -0.478651D+00  0.774348D+00  0.136471D+01 -0.935073D+00  0.878793D+00
                 6             7             8             9            10 
      1  -0.935073D+00 -0.197192D+01 -0.253111D+00  0.289975D+01  0.414799D+01
      2   0.878793D+00 -0.253111D+00  0.159465D+01 -0.337007D+01  0.199582D+01
      3  -0.164571D+01  0.289975D+01 -0.337007D+01 -0.812084D+00  0.514957D+00
                11            12            13            14            15 
      1   0.199582D+01  0.514957D+00 -0.743532D+01 -0.814143D+00  0.220761D+00
      2  -0.286792D+01  0.118775D+00 -0.814143D+00 -0.162969D+01  0.927989D+00
      3   0.118775D+00 -0.955939D+00  0.220761D+00  0.927989D+00 -0.131268D+01
                16            17            18            19            20 
      1   0.351383D-01  0.883176D+00 -0.809095D+00 -0.189775D+02 -0.292101D+01
      2   0.883176D+00  0.401439D+00 -0.324882D+01 -0.292101D+01 -0.272477D+01
      3  -0.809095D+00 -0.324882D+01 -0.239028D+01 -0.796314D+00 -0.259657D+00
                21            22            23            24            25 
      1  -0.796314D+00 -0.364459D+01  0.137436D+01  0.999893D+00 -0.846836D+00
      2  -0.259657D+00  0.137436D+01  0.985663D-01  0.992617D-02  0.945401D+00
      3  -0.167450D+01  0.999893D+00  0.992617D-02 -0.276633D+00 -0.374897D+01
                26            27            28            29            30 
      1   0.945401D+00 -0.374897D+01  0.502300D+01 -0.661543D+00  0.265402D+00
      2   0.192066D+00 -0.641565D+00 -0.661543D+00 -0.317763D+01 -0.830490D+00
      3  -0.641565D+00 -0.132688D+01  0.265402D+00 -0.830490D+00 -0.156686D+01
                31            32            33            34            35 
      1   0.898182D+01  0.204944D+00  0.112724D+00  0.312589D+01 -0.279389D+00
      2   0.204944D+00  0.173721D+01 -0.472304D+00 -0.279389D+00 -0.100013D+01
      3   0.112724D+00 -0.472304D+00  0.167664D+01 -0.171650D+01  0.357136D+01
                36            37            38            39            40 
      1  -0.171650D+01 -0.385029D+01 -0.352610D+00 -0.509208D+00  0.518554D+01
      2   0.357136D+01 -0.352610D+00  0.254142D+01 -0.214108D+00 -0.114635D+00
      3   0.875768D+00 -0.509208D+00 -0.214108D+00  0.761266D+00 -0.199196D+00
                41            42            43            44            45 
      1  -0.114635D+00 -0.199196D+00  0.166679D+00 -0.844824D+00  0.228090D+01
      2   0.853117D+00 -0.802868D+00 -0.844824D+00 -0.766710D+00  0.364412D+01
      3  -0.802868D+00  0.152118D+01  0.228090D+01  0.364412D+01  0.229982D+01
                46            47            48            49            50 
      1   0.582278D+01  0.284009D+00 -0.569687D+00  0.117209D+01 -0.683893D+00
      2   0.284009D+00  0.314226D+01  0.151743D+00 -0.683893D+00 -0.127936D+00
      3  -0.569687D+00  0.151743D+00  0.220323D+01 -0.109075D+01 -0.269440D+00
                51            52            53            54            55 
      1  -0.109075D+01 -0.403689D+00 -0.110306D+01  0.533904D+01  0.503892D+01
      2  -0.269440D+00 -0.110306D+01  0.126715D+00  0.177075D+00  0.238862D+01
      3  -0.137634D+00  0.533904D+01  0.177075D+00  0.105381D+01  0.158060D+00
                56            57            58            59            60 
      1   0.238862D+01  0.158060D+00  0.787838D+01  0.470577D+01 -0.119158D+01
      2   0.272713D+01 -0.124434D+01  0.470577D+01  0.112509D+01 -0.375118D+00
      3  -0.124434D+01  0.182676D+01 -0.119158D+01 -0.375118D+00  0.427405D+01
                61            62            63            64            65 
      1   0.230641D+00 -0.194542D+01  0.390772D+01  0.810766D+01  0.167967D+00
      2  -0.194542D+01 -0.165813D+01  0.410910D+01  0.167967D+00 -0.944858D+00
      3   0.390772D+01  0.410910D+01  0.554069D+01  0.121839D+01  0.914035D+00
                66            67            68            69            70 
      1   0.121839D+01 -0.281497D+00 -0.215607D+01  0.161726D+01  0.135693D+01
      2   0.914035D+00 -0.215607D+01  0.214169D+01 -0.132873D+01  0.163656D+01
      3   0.978924D-01  0.161726D+01 -0.132873D+01 -0.216445D+01  0.334687D+00
                71            72            73            74            75 
      1   0.163656D+01  0.334687D+00  0.936376D+01  0.103458D+01  0.167539D+01
      2  -0.131556D+01 -0.166583D+01  0.103458D+01 -0.379552D+01  0.124913D+01
      3  -0.166583D+01 -0.480013D+01  0.167539D+01  0.124913D+01 -0.179179D+01
                76            77            78            79            80 
      1  -0.310318D+01 -0.413242D+01  0.173104D+01  0.538954D+01  0.252236D+01
      2  -0.413242D+01  0.335516D+01  0.628035D+00  0.252236D+01  0.205853D+01
      3   0.173104D+01  0.628035D+00 -0.324225D+01 -0.214922D+01 -0.323787D+01
                81            82            83            84            85 
      1  -0.214922D+01  0.129484D+00  0.468894D+00  0.476772D+00  0.125644D+01
      2  -0.323787D+01  0.468894D+00  0.106340D+00 -0.279929D+00 -0.770840D+00
      3  -0.444214D+01  0.476772D+00 -0.279929D+00  0.299739D+00 -0.728801D+00
                86            87            88            89            90 
      1  -0.770840D+00 -0.728801D+00  0.204347D+01 -0.122521D+01 -0.109627D+01
      2   0.232342D+01  0.111304D+01 -0.122521D+01  0.244377D+01  0.269284D+01
      3   0.111304D+01  0.239080D+01 -0.109627D+01  0.269284D+01  0.486335D+01
                91            92            93            94            95 
      1  -0.232879D+01 -0.775670D+00 -0.171903D+01 -0.305196D+01 -0.172747D+01
      2  -0.775670D+00 -0.776760D+00 -0.251157D+00 -0.172747D+01 -0.134833D+01
      3  -0.171903D+01 -0.251157D+00 -0.147631D+01 -0.619203D+00 -0.147665D+01
                96            97            98            99           100 
      1  -0.619203D+00 -0.467944D+01 -0.513223D+00 -0.307239D+01 -0.477725D+00
      2  -0.147665D+01 -0.513223D+00 -0.150497D+01 -0.201758D+01  0.398243D-01
      3  -0.234681D+01 -0.307239D+01 -0.201758D+01 -0.770157D+01  0.669996D+00
               101           102           103           104           105 
      1   0.398243D-01  0.669996D+00  0.962993D+00  0.206969D+00 -0.487214D+00
      2   0.578860D+00 -0.158589D+00  0.206969D+00  0.301687D+00  0.949398D+00
      3  -0.158589D+00  0.105012D+01 -0.487214D+00  0.949398D+00  0.217805D+01
               106           107           108           109           110 
      1   0.103890D+01  0.907172D-01 -0.536659D+00  0.779159D+00 -0.904330D+00
      2   0.907172D-01  0.124539D+01  0.521129D+00 -0.904330D+00  0.208482D+01
      3  -0.536659D+00  0.521129D+00  0.724571D+01 -0.351054D+00 -0.487887D+00
               111           112           113           114           115 
      1  -0.351054D+00 -0.175281D+01  0.830575D+00  0.760620D-01 -0.703847D+00
      2  -0.487887D+00  0.830575D+00 -0.859785D+01  0.871588D+00 -0.334329D+00
      3   0.698220D+00  0.760620D-01  0.871588D+00 -0.116530D+01  0.302618D+00
               116           117           118           119           120 
      1  -0.334329D+00  0.302618D+00 -0.134893D+02 -0.257326D+01  0.918215D-01
      2  -0.107447D+00 -0.756596D+00 -0.257326D+01 -0.138891D+01  0.142204D+00
      3  -0.756596D+00  0.478900D+00  0.918215D-01  0.142204D+00 -0.116014D+01
               121           122           123           124           125 
      1  -0.630972D+00 -0.116911D+01 -0.245022D+00 -0.244833D+01 -0.547975D+00
      2  -0.116911D+01 -0.106334D+01 -0.658403D-01 -0.547975D+00 -0.653665D+00
      3  -0.245022D+00 -0.658403D-01  0.205461D+00 -0.111871D+01 -0.132343D-01
               126           127           128           129           130 
      1  -0.111871D+01 -0.319706D+01  0.206953D+01 -0.983980D-01  0.240612D+01
      2  -0.132343D-01  0.206953D+01 -0.223905D+01 -0.194694D+00 -0.259211D+01
      3   0.815551D-01 -0.983980D-01 -0.194694D+00 -0.169226D+00 -0.200611D+00
               131           132           133           134           135 
      1  -0.259211D+01 -0.200611D+00 -0.400248D+00 -0.767742D-01  0.275871D-01
      2   0.690873D+01  0.457300D+00 -0.767742D-01  0.325072D+00  0.155269D+00
      3   0.457300D+00  0.753215D+00  0.275871D-01  0.155269D+00 -0.474754D-01
               136           137           138           139           140 
      1   0.299596D+01  0.307036D+01  0.755586D+00  0.285393D+01  0.423470D+01
      2   0.307036D+01  0.321080D+01  0.741328D+00  0.423470D+01  0.882679D+01
      3   0.755586D+00  0.741328D+00  0.569866D+00  0.845549D+00  0.165829D+01
               141           142           143           144           145 
      1   0.845549D+00  0.770268D+00  0.983489D+00  0.328509D+00  0.136260D+02
      2   0.165829D+01  0.983489D+00  0.182951D+01  0.465920D+00  0.401603D+00
      3   0.113559D+01  0.328509D+00  0.465920D+00  0.277647D+00  0.131233D+01
               146           147           148           149           150 
      1   0.401603D+00  0.131233D+01  0.293680D+00  0.162202D+01  0.311934D+00
      2   0.771350D+00  0.240726D-01  0.162202D+01  0.157442D+00  0.161757D+00
      3   0.240726D-01  0.100716D+01  0.311934D+00  0.161757D+00  0.974359D-01
               151           152           153           154           155 
      1   0.152326D+01  0.321718D+00  0.217696D+00  0.410627D+01 -0.363174D+01
      2   0.321718D+00  0.983320D-01  0.213110D-01 -0.363174D+01  0.355625D+01
      3   0.217696D+00  0.213110D-01  0.189096D+00 -0.334212D+00  0.284239D+00
               156           157           158           159           160 
      1  -0.334212D+00 -0.348533D+01  0.459691D+01  0.644681D+00 -0.366498D+00
      2   0.284239D+00  0.459691D+01 -0.767115D+01 -0.902556D+00  0.479989D+00
      3   0.499652D+00  0.644681D+00 -0.902556D+00 -0.859051D+00  0.996283D-01
               161           162           163           164           165 
      1   0.479989D+00  0.996283D-01 -0.211749D+01 -0.191295D+01 -0.405147D+00
      2  -0.101499D+01 -0.305799D+00 -0.191295D+01 -0.201785D+01 -0.608533D+00
      3  -0.305799D+00 -0.174614D+00 -0.405147D+00 -0.608533D+00 -0.388107D+00
               166           167           168           169           170 
      1  -0.190281D+01 -0.237345D+01 -0.518918D+00 -0.541654D+00 -0.779413D+00
      2  -0.237345D+01 -0.728687D+01 -0.170173D+01 -0.779413D+00 -0.171878D+01
      3  -0.518918D+00 -0.170173D+01 -0.113954D+01 -0.140555D+00 -0.531083D+00
               171           172           173           174           175 
      1  -0.140555D+00 -0.115665D+02  0.197080D+01 -0.187701D+01  0.293764D+00
      2  -0.531083D+00  0.197080D+01 -0.117404D+01  0.129516D+00 -0.671214D+00
      3  -0.413591D+00 -0.187701D+01  0.129516D+00 -0.119575D+01 -0.343539D+00
               176           177           178           179           180 
      1  -0.671214D+00 -0.343539D+00 -0.331825D+01  0.393142D-01 -0.134977D+01
      2   0.448064D+00 -0.260875D+00  0.393142D-01 -0.575112D+00  0.430330D+00
      3  -0.260875D+00  0.576494D-01 -0.134977D+01  0.430330D+00 -0.797588D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122586D+01 -0.132620D+00  0.203863D+01 -0.145214D+01  0.396870D+00
      2  -0.753726D+00  0.236432D+01  0.229879D+01 -0.117295D+01  0.305254D+01
      3  -0.159255D+01 -0.136636D+02 -0.220964D+01  0.441196D+01 -0.156244D+01
                 6             7             8             9            10 
      1  -0.203270D+01  0.693555D+01  0.260527D+01  0.156143D+01  0.144743D+00
      2  -0.414906D+01 -0.575924D+01 -0.103788D+02 -0.269592D+01  0.288588D+01
      3  -0.202539D+01 -0.645709D+00 -0.414728D+01  0.413788D+01  0.502522D+00
                11            12            13            14            15 
      1   0.753060D+00 -0.149316D+01  0.137659D+01 -0.935012D+00 -0.227677D+01
      2   0.146485D+01 -0.564300D+00  0.174421D+01 -0.151807D+01 -0.137160D+01
      3  -0.175019D+01 -0.159702D+01  0.422570D+00  0.761268D+01  0.168555D+00
                16            17            18            19            20 
      1  -0.592140D+01  0.233293D+01 -0.120853D+01  0.831939D+00 -0.478592D+00
      2  -0.139178D+02 -0.130248D+01 -0.310312D+01  0.223381D+00 -0.160498D+01
      3  -0.494348D+01 -0.963906D+00  0.612369D+01 -0.720232D+01  0.776489D+01
                21            22            23            24            25 
      1  -0.868267D+00 -0.283036D+01 -0.136349D+01  0.775818D+00  0.137198D+01
      2  -0.139852D+01 -0.240372D+01  0.383167D+00  0.665394D+00 -0.133151D+02
      3   0.567629D+00  0.172955D+02 -0.205486D-01  0.407422D+00  0.451751D+00
                26            27            28            29            30 
      1   0.101713D+02  0.203951D+01 -0.890656D+00 -0.357244D+00  0.217636D+01
      2   0.344605D+00 -0.257025D+00  0.197433D+01 -0.236976D+00 -0.538402D+00
      3   0.356855D+01 -0.741150D+00  0.632092D+01 -0.122412D+01  0.176021D+01
                31            32            33            34            35 
      1  -0.126197D+01 -0.262830D+00 -0.214239D+01  0.522081D+01  0.256599D+01
      2   0.393303D+01  0.128420D+01  0.818409D+00 -0.134615D+02  0.610861D+00
      3   0.549416D+01 -0.569795D+01  0.267463D+00  0.225685D+01 -0.121905D+01
                36            37            38            39            40 
      1   0.700266D-01  0.100738D+01  0.774069D+00 -0.116510D+01  0.115119D+01
      2  -0.333813D+00  0.140562D+00  0.109723D+01  0.584791D+00  0.855611D+00
      3  -0.565623D+01 -0.331046D+01 -0.107701D+02 -0.210369D+01  0.558340D+01
                41            42            43            44            45 
      1  -0.908083D-01 -0.218388D+01 -0.567824D+01  0.158214D+01 -0.902453D+00
      2  -0.278598D+01  0.409310D+01 -0.786915D+01  0.970114D+01  0.358999D+01
      3  -0.148870D+01  0.164969D+01 -0.700503D+00  0.217923D+01 -0.488900D+01
                46            47            48            49            50 
      1   0.891823D-01 -0.930031D+00 -0.468061D+00 -0.126705D+01 -0.255445D+01
      2  -0.479507D-01  0.975494D-01  0.635279D+01 -0.342866D+01 -0.199597D+00
      3   0.474868D+00 -0.689305D+01  0.845782D-03  0.124386D+02  0.334674D+01
                51            52            53            54            55 
      1   0.136710D+01 -0.986035D+00  0.116594D+02  0.212165D+01 -0.223610D+01
      2  -0.350187D+00  0.841926D+01  0.616622D+00  0.194044D+01  0.211874D+01
      3   0.171990D+01  0.342975D+01  0.736930D+00  0.841716D+00  0.722139D+01
                56            57            58            59            60 
      1  -0.144579D+00  0.329397D+00 -0.224700D+01 -0.155033D+01  0.172591D+01
      2   0.235878D+01 -0.155632D+01  0.481486D+01  0.257831D+01 -0.670495D+01
      3   0.222737D+01 -0.136323D+01  0.132083D+02 -0.394110D+01  0.547203D+00
                61            62            63            64            65 
      1   0.474619D+01  0.701305D+01 -0.842624D+00 -0.281822D+01 -0.159551D+01
      2  -0.142609D+02 -0.835021D+01 -0.868234D+01  0.349222D+00 -0.133900D+01
      3  -0.167155D+01 -0.474749D+01  0.837506D+01  0.175322D+02 -0.804414D+01
                66            67            68            69            70 
      1   0.155796D+00 -0.783083D+00 -0.692423D+00 -0.579764D+00 -0.496246D+01
      2   0.339598D+01 -0.266658D+01  0.223475D+01  0.481589D+01 -0.401921D+01
      3   0.465481D+01  0.293221D+01  0.414678D+01 -0.237361D+01  0.543184D+01
                71            72            73            74            75 
      1   0.848762D+01  0.100765D+02  0.466741D+01 -0.211495D+01 -0.231646D+01
      2   0.637632D+01  0.107259D+02 -0.121719D+02 -0.525852D+01  0.628018D+01
      3  -0.131727D+01 -0.477599D+01 -0.988891D+01 -0.170605D+02  0.112573D+01
                76            77            78            79            80 
      1   0.352231D+00  0.965797D+01 -0.753373D+01 -0.133888D+01 -0.267137D+01
      2  -0.705138D+01  0.232353D+00  0.710265D+01  0.175656D+01  0.709857D+01
      3  -0.103267D+02  0.198652D+02 -0.357647D+00  0.201177D+01  0.155514D+01
                81            82            83            84            85 
      1  -0.764937D+01 -0.611977D+00  0.590573D+00 -0.206163D+00  0.129007D+01
      2   0.122686D+02 -0.191065D+01  0.948153D+00 -0.158797D+00  0.185348D+01
      3  -0.683599D+01  0.245667D+01  0.558075D+00 -0.150005D-01  0.807210D+00
                86            87            88            89            90 
      1  -0.245537D+01 -0.559184D+01  0.285926D+01 -0.334589D+01 -0.112887D+02
      2  -0.287553D+01 -0.626431D+01  0.467151D-01 -0.701671D+01 -0.114411D+02
      3   0.491474D+01  0.213839D+01  0.613971D+00  0.625679D+01  0.658201D+01
                91            92            93            94            95 
      1  -0.100047D+01  0.124772D+01 -0.467838D+00  0.126142D+01  0.636403D+00
      2   0.166863D+01  0.504394D+00  0.288529D+01 -0.271784D+00  0.138977D+01
      3  -0.174066D+01 -0.376825D+01 -0.435909D+00 -0.182355D+01 -0.156266D+01
                96            97            98            99           100 
      1  -0.134787D+01 -0.157230D+01  0.188655D+01 -0.141056D+01  0.864501D+00
      2   0.430670D+01  0.152030D+01  0.329538D+01  0.126758D+02 -0.183674D+01
      3  -0.325520D+01  0.994998D-01 -0.312786D+01 -0.440109D+01  0.808185D+00
               101           102           103           104           105 
      1   0.934010D+00  0.109166D+01  0.103410D+00  0.219199D+01  0.205297D+01
      2   0.933481D-01 -0.214208D+01 -0.119362D+00 -0.252946D+01 -0.512819D+01
      3   0.107785D+01 -0.819079D+00  0.129872D+01  0.433781D+00  0.241043D+01
               106           107           108           109           110 
      1  -0.363516D+00  0.477563D+01  0.103857D+02 -0.206987D+01  0.175407D+01
      2  -0.291651D+01 -0.201175D+01 -0.176391D+02 -0.198413D+00  0.168155D+01
      3  -0.109267D+01  0.337871D+01  0.224422D+01 -0.730368D+01  0.754903D+01
               111           112           113           114           115 
      1   0.163179D+01  0.169871D+01 -0.634193D+01 -0.335342D+01  0.840297D+00
      2  -0.976259D+00  0.152287D+01 -0.315496D+01  0.212018D+01 -0.160156D+01
      3  -0.822588D-01  0.985066D+01 -0.241186D+02  0.179939D+01  0.117125D+01
               116           117           118           119           120 
      1  -0.289849D+00  0.413986D+00 -0.585646D+00 -0.721630D+00 -0.201206D+01
      2   0.136771D+01 -0.989055D+00  0.751725D+01  0.844646D+00  0.642081D+01
      3  -0.642706D+00 -0.242433D+01  0.104943D+02 -0.423100D+01  0.603858D+00
               121           122           123           124           125 
      1  -0.454977D+00 -0.842440D+00 -0.463176D+00 -0.139835D+01  0.669125D+00
      2   0.151300D+01  0.653635D+00 -0.283433D+00  0.230244D+01 -0.148124D+00
      3   0.717798D-01 -0.223763D+01 -0.243208D+00  0.497687D+00 -0.120151D+01
               126           127           128           129           130 
      1  -0.143478D-01  0.112690D+01 -0.284709D+00  0.151321D+01 -0.478225D-01
      2   0.310330D+00  0.151015D+01 -0.974477D-01 -0.144809D+00 -0.476386D+00
      3   0.140858D+01 -0.104994D+02  0.469071D+01 -0.434771D+00  0.847999D+01
               131           132           133           134           135 
      1  -0.215790D-01 -0.322566D+01 -0.430658D+00  0.163264D+01  0.169751D+00
      2   0.879557D+00 -0.708181D+00 -0.127612D+01  0.274645D+00 -0.733558D-01
      3  -0.638498D+01 -0.761649D+00 -0.719251D+00  0.912320D-02  0.105147D+00
               136           137           138           139           140 
      1  -0.277163D+00 -0.275615D-01 -0.191563D+01 -0.143437D+00  0.469240D+00
      2   0.558505D+00  0.842606D+00  0.210076D+01  0.735551D+00  0.267503D+01
      3  -0.108648D+01 -0.317691D+01 -0.477755D+00 -0.227436D+01 -0.133710D+02
               141           142           143           144           145 
      1  -0.399492D+01  0.522853D+00  0.174778D+01 -0.551634D+00 -0.128810D+00
      2   0.344846D+01 -0.317089D+00 -0.731954D-01  0.629407D+00  0.196377D+01
      3  -0.228461D+01 -0.372038D+00 -0.266736D+01 -0.358496D+00  0.401387D+00
               146           147           148           149           150 
      1   0.414230D+00 -0.206968D+00  0.222608D+00  0.128829D-01 -0.320607D+00
      2  -0.120320D+00  0.632003D+01  0.123414D+01  0.358833D+00  0.358733D+00
      3  -0.520735D+01  0.240555D+00 -0.405871D+01 -0.229201D+00 -0.426297D+00
               151           152           153           154           155 
      1   0.717232D-01  0.418305D+00 -0.374179D-01  0.293105D+00 -0.603991D+00
      2  -0.215832D+01  0.813481D-01  0.656919D+00  0.288292D+00 -0.350057D+00
      3  -0.107824D+01 -0.493744D+00 -0.308141D+00  0.133561D+01 -0.455225D+01
               156           157           158           159           160 
      1   0.204494D+01  0.258901D+00  0.222706D+00 -0.359107D+01 -0.908735D+00
      2   0.232192D+01  0.465981D+00 -0.100275D+01 -0.320806D+01 -0.551851D+00
      3  -0.480696D-01 -0.342141D+01  0.124213D+02  0.110358D+01 -0.578521D+00
               161           162           163           164           165 
      1   0.139180D+01 -0.299447D+00  0.740454D+00  0.348296D+00 -0.158827D+01
      2   0.492416D+00 -0.332222D+00 -0.163121D+01 -0.978442D+00  0.174687D+00
      3   0.195266D+01  0.420138D+00  0.785401D+01  0.452465D+01  0.793161D+00
               166           167           168           169           170 
      1   0.698149D+00  0.103755D+01 -0.355804D+01  0.497823D+00  0.224578D+01
      2  -0.168508D+01 -0.161919D+01  0.332680D+00 -0.167323D+01 -0.494837D+00
      3   0.779017D+01  0.834569D+01  0.183216D+01  0.162321D+01  0.257538D+01
               171           172           173           174           175 
      1  -0.454798D+00  0.207916D+01  0.575385D+00  0.172620D+01  0.848470D+00
      2   0.201504D+00 -0.142201D+01 -0.974278D-01  0.469758D+01  0.603168D+00
      3   0.207410D+00 -0.133280D+02 -0.353249D+01 -0.237950D+01 -0.172082D+00
               176           177           178           179           180 
      1   0.270799D+00 -0.800646D-01  0.104445D+01  0.603216D+00  0.404999D-01
      2  -0.366045D-01  0.105781D+00  0.104387D+01 -0.103362D+01  0.132369D+01
      3   0.779472D-01 -0.109211D+01 -0.578561D+01 -0.168435D+01 -0.554555D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.285792D+01  0.210216D+02  0.443712D+01 -0.255729D+02  0.605621D+01
      2  -0.579640D+01 -0.120701D+02 -0.383930D+00  0.239709D+02 -0.110460D+02
      3   0.293848D+01 -0.895144D+01 -0.405319D+01  0.160201D+01  0.498982D+01
      4   0.189460D+02  0.872563D+00  0.409185D+01  0.466843D+01  0.134529D+02
      5   0.569754D+00  0.375093D+01  0.489129D+01 -0.382108D+01  0.742057D+01
      6   0.187919D+01 -0.274495D+01 -0.504528D+01  0.604789D+01 -0.520725D+01
                 6             7             8             9            10 
      1   0.705413D+00 -0.687905D+01  0.583521D+01  0.498399D+00  0.797424D+01
      2  -0.984070D+00  0.827370D+01 -0.806612D+01 -0.625927D+01 -0.635032D+01
      3   0.278657D+00 -0.139466D+01  0.223091D+01  0.576087D+01 -0.162392D+01
      4   0.812202D+01  0.187994D+01  0.737973D+01 -0.151862D+02 -0.122461D+02
      5  -0.858937D+01  0.178474D+02 -0.154411D+02 -0.685201D+01 -0.556520D+00
      6   0.508362D+01 -0.812837D+01  0.128052D+02 -0.151550D+01 -0.247588D+01
                11            12            13            14            15 
      1  -0.114542D+02  0.106639D+00  0.348929D+01  0.747495D+01  0.488850D+01
      2   0.921724D+01 -0.112202D+01 -0.105831D+02 -0.100984D+02 -0.596244D+01
      3   0.223699D+01  0.101538D+01  0.709377D+01  0.262346D+01  0.107395D+01
      4  -0.169155D+02 -0.408858D+01  0.115070D+02 -0.122259D+02 -0.191892D+01
      5  -0.397229D+01 -0.309073D+01  0.103779D+01 -0.211643D+01 -0.545024D+00
      6  -0.212950D+01  0.336949D+01 -0.540951D+01 -0.896012D+01  0.266537D+01
                16            17            18            19            20 
      1   0.193464D+01  0.154163D+01 -0.156492D+02 -0.222248D+02 -0.197870D+00
      2  -0.453367D+01 -0.700572D+01  0.114048D+01  0.726214D+01  0.110803D+00
      3   0.259903D+01  0.546409D+01  0.145088D+02  0.149627D+02  0.870663D-01
      4   0.239598D+00 -0.379956D+01 -0.612135D+01  0.147405D+02  0.428231D+01
      5  -0.482109D+00 -0.508779D+01 -0.523988D+01  0.992183D+00  0.403787D+00
      6   0.341997D+01  0.123294D+02  0.551467D+01 -0.940494D+00  0.706983D-02
                21            22            23            24            25 
      1   0.666444D+00  0.550539D+00 -0.602497D+01  0.290140D+00 -0.862502D+01
      2  -0.753308D+00 -0.161927D+01  0.107793D+02  0.342255D+01  0.236881D+01
      3   0.868641D-01  0.106873D+01 -0.475434D+01 -0.371269D+01  0.625621D+01
      4   0.835904D+00 -0.859598D+01 -0.250739D+01 -0.138484D+01 -0.272097D+01
      5   0.484835D+00 -0.350301D+01 -0.570964D+00  0.142384D+01  0.277992D+01
      6   0.778097D+00 -0.244476D+01  0.207699D+01 -0.117629D+01 -0.842199D+00
                26            27            28            29            30 
      1  -0.797011D+00 -0.952023D+01  0.592361D+01  0.140363D+02  0.382342D+01
      2   0.133889D+01 -0.376944D+01 -0.551848D+01 -0.103566D+02 -0.125707D+01
      3  -0.541882D+00  0.132897D+02 -0.405127D+00 -0.367970D+01 -0.256635D+01
      4  -0.342917D+01  0.289295D+01  0.522557D+01 -0.117701D+02 -0.353808D+00
      5   0.219004D+01 -0.823550D+00  0.155901D+01 -0.673886D+00 -0.691963D+00
      6   0.423653D+01 -0.343288D+01  0.292178D+01 -0.269179D+01 -0.478260D+01
                31            32            33            34            35 
      1  -0.264658D+01  0.305084D+01  0.205050D+01 -0.624719D+00  0.314538D+01
      2   0.114826D+02 -0.724167D+01 -0.172433D+01  0.296265D+01 -0.471602D+01
      3  -0.883603D+01  0.419083D+01 -0.326176D+00 -0.233793D+01  0.157064D+01
      4   0.297773D+01  0.136141D+02  0.218402D+01  0.584634D+00 -0.172434D+01
      5   0.134122D+01  0.205836D+01  0.243218D+00  0.386321D+01  0.317138D+01
      6   0.579258D+01 -0.278520D+01  0.528925D+01 -0.292797D+01  0.145074D+02
                36            37            38            39            40 
      1  -0.146069D+02  0.320697D+01 -0.195028D+02 -0.198250D+01  0.253486D+02
      2   0.330651D+01 -0.388682D+01  0.123697D+02  0.846581D+00 -0.231387D+02
      3   0.113004D+02  0.679853D+00  0.713310D+01  0.113592D+01 -0.220986D+01
      4   0.288957D+01 -0.109210D+02 -0.577499D+01 -0.527255D+01  0.522552D+01
      5  -0.124538D+01 -0.420111D+01 -0.498703D+01 -0.588741D+00 -0.530254D+00
      6   0.924955D+00 -0.570048D+01 -0.229574D+01  0.327666D+01 -0.497564D+01
                41            42            43            44            45 
      1   0.103537D+02  0.265585D+01  0.298507D+01 -0.266460D+01 -0.469326D+01
      2  -0.142887D+02 -0.543738D+01 -0.691664D+01 -0.528328D+01 -0.490214D+01
      3   0.393494D+01  0.278154D+01  0.393158D+01  0.794788D+01  0.959540D+01
      4  -0.685679D+01 -0.568489D+01 -0.524821D+01 -0.100426D+02  0.154482D+02
      5  -0.574615D+01  0.882688D+01  0.130348D+02  0.157939D+02  0.725165D+01
      6  -0.871105D+01  0.379665D+01  0.678389D+01  0.134612D+02  0.293348D+01
                46            47            48            49            50 
      1  -0.126486D+02 -0.994239D+00 -0.658569D+01  0.411437D+01 -0.200690D+02
      2   0.859099D+01  0.823330D+00  0.402060D+01 -0.224423D+01  0.167142D+02
      3   0.405757D+01  0.170909D+00  0.256510D+01 -0.187014D+01  0.335479D+01
      4  -0.198030D+01  0.231142D+02  0.131851D+01 -0.189229D+02 -0.588122D+01
      5  -0.820479D+01  0.117569D+01  0.142085D+02 -0.100324D+02 -0.269163D+01
      6   0.134372D+01  0.854380D+00  0.117349D+01 -0.267042D+01  0.304779D+01
                51            52            53            54            55 
      1  -0.625284D+01 -0.981020D+01 -0.666770D+01  0.148256D+02  0.168927D+02
      2   0.767338D+01  0.389190D+01  0.557773D+01 -0.178534D+02 -0.585527D+01
      3  -0.142054D+01  0.591830D+01  0.108997D+01  0.302779D+01 -0.110374D+02
      4  -0.346228D+01 -0.110476D+02  0.116548D+01 -0.600458D+00 -0.996586D+01
      5  -0.101857D+01  0.358219D+02  0.290668D+00  0.516535D+01 -0.370589D+00
      6  -0.293283D+01  0.233328D+00  0.435987D+01 -0.302771D+01  0.652408D-01
                56            57            58            59            60 
      1   0.902267D+00 -0.747437D+00  0.107601D+01 -0.771340D+01  0.165919D+01
      2   0.152027D+01  0.999641D+00  0.549349D+01  0.451948D+01 -0.757160D+00
      3  -0.242254D+01 -0.252203D+00 -0.656950D+01  0.319393D+01 -0.902026D+00
      4  -0.170544D+02  0.450080D+01 -0.295882D+02 -0.408611D+01  0.333146D+01
      5   0.493609D+01 -0.114892D+02  0.958747D+01  0.234821D+01 -0.177650D+02
      6   0.271518D+01 -0.195072D+01  0.444136D+01  0.645926D+01 -0.110359D+02
                61            62            63            64            65 
      1   0.124744D+02  0.605689D+01  0.745031D-01 -0.414735D+02  0.565199D+01
      2   0.231907D+01  0.296085D+01  0.889146D+01  0.249004D+02 -0.580780D+01
      3  -0.147934D+02 -0.901775D+01 -0.896597D+01  0.165731D+02  0.155815D+00
      4   0.130727D+02  0.972543D+01 -0.218919D+02  0.114519D+02  0.976460D+01
      5  -0.204246D+02 -0.200940D+02 -0.228019D+02 -0.128912D+02 -0.400689D+01
      6  -0.116521D+02 -0.492324D+01 -0.526385D+01  0.308190D+01  0.226489D+01
                66            67            68            69            70 
      1  -0.943349D+01 -0.500752D+00 -0.215077D+01 -0.644201D+00 -0.967044D+01
      2   0.634833D+01 -0.340087D+01  0.143345D+02 -0.992947D+00  0.804088D+01
      3   0.308516D+01  0.390162D+01 -0.121837D+02  0.163715D+01  0.162956D+01
      4  -0.295154D+01  0.192895D+02 -0.151011D+02  0.747282D+01 -0.836476D+01
      5   0.281190D+01 -0.111937D+02  0.667988D+01  0.924272D+01  0.860743D+00
      6  -0.709213D+00  0.243775D+01 -0.909958D+01  0.254985D+01  0.306241D+01
                71            72            73            74            75 
      1   0.102874D+01 -0.184241D+01 -0.578665D+02 -0.174931D+02 -0.191785D+01
      2  -0.271034D+01 -0.630828D+01  0.237604D+02  0.166530D+02  0.394839D+01
      3   0.168161D+01  0.815069D+01  0.341061D+02  0.840191D+00 -0.203054D+01
      4   0.932580D+01  0.906912D+01 -0.200580D+02  0.149665D+02 -0.674763D+01
      5   0.836195D+01  0.226305D+02 -0.304255D+01 -0.408607D+01  0.102913D+02
      6  -0.143809D+01 -0.162403D+02 -0.416554D+01 -0.592950D+01  0.414827D+01
                76            77            78            79            80 
      1  -0.889695D+01  0.217001D+02  0.191887D+01 -0.121633D+02 -0.185097D+00
      2   0.820488D+01 -0.251082D+02  0.634538D+01  0.558218D+01  0.250904D+01
      3   0.692066D+00  0.340810D+01 -0.826425D+01  0.658110D+01 -0.232394D+01
      4   0.193738D+02 -0.710067D+01 -0.428455D+01 -0.170283D+02 -0.104629D+02
      5  -0.909735D+01 -0.699715D+01  0.152987D+02  0.146583D+02  0.167540D+02
      6  -0.652296D+01 -0.340627D+01  0.791840D+01  0.820974D+01  0.911078D+01
                81            82            83            84            85 
      1   0.118434D+02  0.182455D+01 -0.337484D+01 -0.284643D+01 -0.472059D+01
      2   0.877614D+01 -0.646876D+00  0.116154D+01  0.594721D+00  0.101838D+01
      3  -0.206195D+02 -0.117767D+01  0.221330D+01  0.225171D+01  0.370221D+01
      4   0.200880D+02 -0.409881D+01  0.111440D+01  0.308541D+01  0.635569D+01
      5   0.165024D+02 -0.290131D+01  0.238753D+01  0.588063D+00  0.423402D+01
      6   0.207497D+00  0.203273D+01 -0.873671D+00  0.109524D+00 -0.240340D+01
                86            87            88            89            90 
      1  -0.304241D+01 -0.671646D+00 -0.688125D+01 -0.123276D+01 -0.611668D+01
      2   0.501067D+01  0.268122D+01  0.288082D+01  0.314526D+01  0.271802D+01
      3  -0.196826D+01 -0.200958D+01  0.400043D+01 -0.191250D+01  0.339865D+01
      4  -0.114105D+02 -0.637394D+01  0.930320D+01 -0.130536D+02 -0.132002D+02
      5  -0.550290D+01 -0.121868D+02  0.705816D+01 -0.133267D+02 -0.238224D+02
      6   0.530364D+01  0.997603D+01 -0.379616D+01  0.112144D+02  0.160024D+02
                91            92            93            94            95 
      1   0.513758D+01  0.148443D+01  0.418230D+01  0.838930D+00 -0.254157D+01
      2  -0.664559D+01 -0.140701D+01 -0.443739D+01 -0.258417D+01 -0.432101D+00
      3   0.150801D+01 -0.774163D-01  0.255083D+00  0.174524D+01  0.297367D+01
      4   0.484533D+01  0.725440D+01  0.253000D+01  0.105023D+02  0.635703D+01
      5   0.979980D+01  0.257437D+01  0.126499D+02  0.390571D+01  0.627979D+01
      6   0.305544D+01  0.252533D-02  0.165189D+01  0.212727D+01  0.469771D+01
                96            97            98            99           100 
      1  -0.288917D+01  0.272131D+01 -0.325608D+01 -0.108197D+02  0.381151D+01
      2  -0.819681D+00 -0.923014D+01 -0.255267D+01 -0.150199D+02 -0.402903D+01
      3   0.370885D+01  0.650883D+01  0.580875D+01  0.258397D+02  0.217516D+00
      4   0.662152D+01  0.318687D+01  0.713948D+01  0.968834D+01  0.132764D+01
      5   0.100083D+02  0.195436D+02  0.915943D+01  0.329629D+02 -0.279283D+01
      6   0.986202D+01  0.522904D+01  0.687133D+01  0.113646D+02 -0.777608D-01
               101           102           103           104           105 
      1   0.163003D+01 -0.632607D+01 -0.180233D+01 -0.443432D+01 -0.201302D+01
      2  -0.176677D+01  0.738711D+00  0.177856D+01  0.990350D+00 -0.570132D+01
      3   0.136732D+00  0.558736D+01  0.237640D-01  0.344397D+01  0.771435D+01
      4  -0.166570D+01 -0.465384D+00 -0.356345D+00 -0.250391D+01 -0.454398D+01
      5   0.878378D+00  0.742642D+00  0.383989D+01 -0.335175D+01 -0.967097D+01
      6   0.164784D+01 -0.143132D+01  0.338041D-01  0.162067D+01  0.323445D+01
               106           107           108           109           110 
      1  -0.562696D+01 -0.341973D+00 -0.172914D+02 -0.240778D+01  0.991178D+01
      2   0.405910D+01 -0.410854D+01 -0.171802D+02  0.519516D+01 -0.110083D+02
      3   0.156786D+01  0.445052D+01  0.344716D+02 -0.278737D+01  0.109651D+01
      4  -0.245685D+01 -0.640089D+01 -0.480588D+01  0.961026D+00 -0.351007D+01
      5   0.737458D+01 -0.245151D+01 -0.300357D+02  0.204106D+01  0.344009D-01
      6   0.813617D+00  0.391767D+01 -0.940294D+01 -0.917310D-02  0.272062D+01
               111           112           113           114           115 
      1  -0.719589D+00  0.100679D+02 -0.277392D+02  0.243067D+01  0.177950D+01
      2  -0.161701D+00 -0.785554D+01  0.415506D+02 -0.137073D+01 -0.102201D+01
      3   0.881290D+00 -0.221238D+01 -0.138114D+02 -0.105994D+01 -0.757492D+00
      4   0.164188D+01  0.348214D+01  0.326479D+02 -0.369648D+01  0.252945D+01
      5  -0.210254D+01 -0.291257D+01 -0.144795D+01  0.444004D+01 -0.124516D+00
      6  -0.271954D+01  0.745174D+00 -0.885701D+01  0.641686D+01 -0.163251D+01
               116           117           118           119           120 
      1   0.115462D+01 -0.561077D+01  0.817157D+02  0.115796D+02  0.240635D+01
      2   0.633434D+00  0.319545D+01 -0.384353D+02 -0.267981D+01  0.263670D+00
      3  -0.178805D+01  0.241533D+01 -0.432805D+02 -0.889982D+01 -0.267002D+01
      4   0.135773D+01  0.155415D+01  0.350843D+02  0.163284D+02 -0.983141D-01
      5   0.221478D+01 -0.136177D+01 -0.954669D+01 -0.201975D+01  0.103371D+02
      6   0.664045D+01 -0.123231D+01 -0.889691D+00 -0.157328D+01  0.368196D+01
               121           122           123           124           125 
      1   0.216166D+01  0.499482D+01  0.468970D+00  0.103332D+02  0.968862D+00
      2   0.194069D+01  0.101223D+01 -0.641303D+00 -0.426707D+01  0.258935D+00
      3  -0.410235D+01 -0.600705D+01  0.172334D+00 -0.606616D+01 -0.122780D+01
      4   0.131745D+02  0.820251D+01  0.544554D+00  0.510715D+01  0.383224D+01
      5   0.535730D+00 -0.215538D+00 -0.488528D+00  0.105132D+02  0.788475D+00
      6  -0.944763D+00 -0.609688D+00  0.915235D+00  0.336807D+01  0.865647D+00
               126           127           128           129           130 
      1   0.615447D+01 -0.359574D+01  0.675601D+01  0.962441D+00  0.770333D+01
      2  -0.544586D+01  0.589732D+01 -0.972951D+01 -0.678336D+00 -0.108272D+02
      3  -0.708619D+00 -0.230158D+01  0.297350D+01 -0.284105D+00  0.312390D+01
      4   0.177511D+01 -0.800981D+01  0.630922D+01  0.692909D+00  0.673937D+01
      5   0.350670D-01 -0.201540D+00  0.108751D+01  0.383430D+00  0.912025D+00
      6   0.599976D+00 -0.747339D+00 -0.239371D+00 -0.157837D+01 -0.824574D+00
               131           132           133           134           135 
      1  -0.251383D+02 -0.210193D+01  0.652388D+00 -0.101755D+01 -0.101470D+01
      2   0.340814D+02  0.171472D+01 -0.898505D+00  0.154489D+01  0.149447D+01
      3  -0.894306D+01  0.387212D+00  0.246116D+00 -0.527344D+00 -0.479768D+00
      4  -0.653295D+01 -0.424194D+00 -0.730676D-01  0.208072D+00 -0.141777D+01
      5  -0.961296D+00 -0.849903D+00  0.790439D+00 -0.833789D+00 -0.299120D-01
      6   0.247417D+01  0.505579D+01 -0.607968D+00  0.213038D+01  0.226959D+00
               136           137           138           139           140 
      1   0.849125D+01  0.697242D+01  0.128998D+01  0.689451D+00 -0.106837D+02
      2   0.224580D+01  0.433269D+01  0.691054D-01  0.114272D+02  0.322302D+02
      3  -0.107370D+02 -0.113051D+02 -0.135909D+01 -0.121166D+02 -0.215465D+02
      4   0.235196D+02  0.265068D+02  0.541929D+01  0.283553D+02  0.489864D+02
      5   0.502504D+01  0.516557D+01  0.527311D+01  0.527184D+01  0.823942D+01
      6   0.370962D+01  0.402534D+01  0.321285D+01  0.524451D+01  0.106883D+02
               141           142           143           144           145 
      1  -0.218209D+01  0.901437D+00 -0.138517D+01 -0.135757D+01  0.103159D+03
      2   0.408519D+01  0.155067D+01  0.496363D+01  0.217234D+01 -0.593809D+02
      3  -0.190309D+01 -0.245211D+01 -0.357846D+01 -0.814776D+00 -0.437778D+02
      4   0.883251D+01  0.702441D+01  0.101050D+02  0.382985D+01  0.422620D+01
      5   0.608913D+01  0.235564D+01  0.327925D+01  0.206252D+01  0.123036D+02
      6   0.808483D+01  0.247940D+01  0.472957D+01  0.283347D+01 -0.202508D+01
               146           147           148           149           150 
      1   0.302499D+01  0.826490D+01  0.166706D+01  0.968586D+01  0.130853D+01
      2  -0.150410D+01 -0.567797D+01 -0.732345D+00 -0.497809D+01 -0.113087D+01
      3  -0.152090D+01 -0.258693D+01 -0.934720D+00 -0.470778D+01 -0.177663D+00
      4   0.846672D+01  0.463986D-01  0.154140D+02  0.122504D+01  0.143902D+01
      5   0.743552D-01  0.109842D+02  0.250535D+01  0.148746D+01  0.549024D+00
      6   0.518017D+00 -0.265881D-02  0.107838D+01 -0.250635D+00  0.158216D+01
               151           152           153           154           155 
      1   0.108328D+02  0.155281D+01  0.416811D+01  0.157466D+02 -0.108252D+02
      2  -0.655815D+01 -0.101496D+01 -0.282518D+01 -0.468732D+00 -0.319631D+01
      3  -0.427460D+01 -0.537849D+00 -0.134293D+01 -0.152779D+02  0.140215D+02
      4   0.261261D+01  0.118252D+01  0.584485D+00 -0.298809D+02  0.301642D+02
      5   0.476703D+01  0.397478D+00  0.244348D+01 -0.373812D+01  0.279105D+01
      6   0.112066D+00  0.787333D+00  0.304288D+00  0.125819D+01 -0.107507D+01
               156           157           158           159           160 
      1  -0.143893D+01 -0.534773D+01 -0.187927D+01  0.806704D-02  0.393808D+00
      2   0.374740D+00 -0.952818D+01  0.238231D+02  0.125072D+01 -0.151662D+01
      3   0.106419D+01  0.148759D+02 -0.219438D+02 -0.125879D+01  0.112281D+01
      4   0.254536D+01  0.331211D+02 -0.484025D+02 -0.556537D+01  0.339014D+01
      5   0.501942D+01  0.483167D+01 -0.627118D+01 -0.555596D+01  0.203855D+01
      6  -0.280199D+01 -0.310721D+01  0.472669D+01  0.610084D+01 -0.172343D+01
               161           162           163           164           165 
      1  -0.980437D+00 -0.800687D+00 -0.510932D+01 -0.731295D+01 -0.281819D+01
      2   0.279411D+01  0.141800D+01  0.620200D+01  0.855369D+01  0.195374D+01
      3  -0.181367D+01 -0.617310D+00 -0.109268D+01 -0.124073D+01  0.864446D+00
      4  -0.539732D+01 -0.299605D+01  0.525959D+01  0.679822D+01  0.123264D+01
      5  -0.217970D+01 -0.104476D+01  0.440746D+00  0.893852D+00  0.145497D+01
      6   0.311129D+01  0.139804D+01  0.254821D+01  0.405000D+01  0.256909D+01
               166           167           168           169           170 
      1  -0.831935D+01 -0.286416D+02 -0.739341D+01 -0.242312D+01 -0.660076D+01
      2   0.102563D+02  0.363302D+02  0.665849D+01  0.263752D+01  0.736733D+01
      3  -0.193690D+01 -0.768853D+01  0.734919D+00 -0.214403D+00 -0.766576D+00
      4   0.574471D+01  0.185233D+01  0.511252D-01  0.163254D+01  0.875324D+00
      5   0.559319D+00 -0.572770D+00  0.129036D+00  0.125890D+01  0.668916D+00
      6   0.329771D+01  0.117536D+02  0.791352D+01  0.136373D+01  0.451031D+01
               171           172           173           174           175 
      1  -0.288158D+01  0.699373D+02 -0.103464D+02  0.119457D+02 -0.634821D+00
      2   0.276784D+01 -0.377167D+02  0.404925D+01 -0.732105D+01 -0.158961D+01
      3   0.113736D+00 -0.322206D+02  0.629715D+01 -0.462463D+01  0.222443D+01
      4   0.189388D+01 -0.273247D+02  0.117179D+02 -0.353351D+01  0.754665D+01
      5   0.100500D+01  0.181679D+02 -0.197798D+01  0.105483D+02  0.252838D+01
      6   0.315757D+01 -0.486459D+01  0.747007D+00 -0.294962D+01  0.508616D+00
               176           177           178           179           180 
      1   0.276217D+01  0.281052D+01  0.160610D+02  0.891903D+00  0.617025D+01
      2  -0.223310D+00 -0.240324D+01 -0.112590D+02 -0.589526D+00 -0.478758D+01
      3  -0.253886D+01 -0.407282D+00 -0.480195D+01 -0.302377D+00 -0.138267D+01
      4  -0.262679D+01  0.119224D+01 -0.362355D+01  0.201349D+01 -0.349393D+01
      5   0.193201D+01  0.419239D+00  0.124790D+02 -0.255344D+01  0.565028D+01
      6  -0.532360D+00  0.140592D+01 -0.266225D+01  0.174227D+01 -0.922774D+00
 Leave Link  716 at Thu Aug 12 20:56:00 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.136014D+03  0.110229D+01  0.245182D+01
      2   0.110229D+01  0.110970D+03  0.442963D+01
      3   0.245182D+01  0.442963D+01  0.727058D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.866111D+00 -0.595545D+00  0.287160D+01
      2   0.124316D+02  0.116890D+02 -0.100848D+02
      3   0.114726D+01 -0.300453D+02 -0.116563D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.644663D+02  0.422268D+01  0.711711D+01
      2  -0.248112D+02 -0.788612D+01 -0.111539D+02
      3  -0.396552D+02  0.366344D+01  0.403684D+01
      4  -0.151220D+02  0.497638D+02  0.275759D+02
      5   0.204188D+02  0.291636D+02 -0.260594D+02
      6   0.103162D+02  0.770382D+01 -0.856608D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.313627D+01 -0.158885D+00 -0.478651D+00 -0.599630D+01 -0.570895D+00
      2  -0.158885D+00  0.238806D+01  0.774348D+00 -0.570895D+00 -0.551801D+00
      3  -0.478651D+00  0.774348D+00  0.136471D+01 -0.935073D+00  0.878793D+00
                 6             7             8             9            10 
      1  -0.935073D+00 -0.197192D+01 -0.253111D+00  0.289975D+01  0.414799D+01
      2   0.878793D+00 -0.253111D+00  0.159465D+01 -0.337007D+01  0.199582D+01
      3  -0.164571D+01  0.289975D+01 -0.337007D+01 -0.812084D+00  0.514957D+00
                11            12            13            14            15 
      1   0.199582D+01  0.514957D+00 -0.743532D+01 -0.814143D+00  0.220761D+00
      2  -0.286792D+01  0.118775D+00 -0.814143D+00 -0.162969D+01  0.927989D+00
      3   0.118775D+00 -0.955939D+00  0.220761D+00  0.927989D+00 -0.131268D+01
                16            17            18            19            20 
      1   0.351383D-01  0.883176D+00 -0.809095D+00 -0.189775D+02 -0.292101D+01
      2   0.883176D+00  0.401439D+00 -0.324882D+01 -0.292101D+01 -0.272477D+01
      3  -0.809095D+00 -0.324882D+01 -0.239028D+01 -0.796314D+00 -0.259657D+00
                21            22            23            24            25 
      1  -0.796314D+00 -0.364459D+01  0.137436D+01  0.999893D+00 -0.846836D+00
      2  -0.259657D+00  0.137436D+01  0.985663D-01  0.992617D-02  0.945401D+00
      3  -0.167450D+01  0.999893D+00  0.992617D-02 -0.276633D+00 -0.374897D+01
                26            27            28            29            30 
      1   0.945401D+00 -0.374897D+01  0.502300D+01 -0.661543D+00  0.265402D+00
      2   0.192066D+00 -0.641565D+00 -0.661543D+00 -0.317763D+01 -0.830490D+00
      3  -0.641565D+00 -0.132688D+01  0.265402D+00 -0.830490D+00 -0.156686D+01
                31            32            33            34            35 
      1   0.898182D+01  0.204944D+00  0.112724D+00  0.312589D+01 -0.279389D+00
      2   0.204944D+00  0.173721D+01 -0.472304D+00 -0.279389D+00 -0.100013D+01
      3   0.112724D+00 -0.472304D+00  0.167664D+01 -0.171650D+01  0.357136D+01
                36            37            38            39            40 
      1  -0.171650D+01 -0.385029D+01 -0.352610D+00 -0.509208D+00  0.518554D+01
      2   0.357136D+01 -0.352610D+00  0.254142D+01 -0.214108D+00 -0.114635D+00
      3   0.875768D+00 -0.509208D+00 -0.214108D+00  0.761266D+00 -0.199196D+00
                41            42            43            44            45 
      1  -0.114635D+00 -0.199196D+00  0.166679D+00 -0.844824D+00  0.228090D+01
      2   0.853117D+00 -0.802868D+00 -0.844824D+00 -0.766710D+00  0.364412D+01
      3  -0.802868D+00  0.152118D+01  0.228090D+01  0.364412D+01  0.229982D+01
                46            47            48            49            50 
      1   0.582278D+01  0.284009D+00 -0.569687D+00  0.117209D+01 -0.683893D+00
      2   0.284009D+00  0.314226D+01  0.151743D+00 -0.683893D+00 -0.127936D+00
      3  -0.569687D+00  0.151743D+00  0.220323D+01 -0.109075D+01 -0.269440D+00
                51            52            53            54            55 
      1  -0.109075D+01 -0.403689D+00 -0.110306D+01  0.533904D+01  0.503892D+01
      2  -0.269440D+00 -0.110306D+01  0.126715D+00  0.177075D+00  0.238862D+01
      3  -0.137634D+00  0.533904D+01  0.177075D+00  0.105381D+01  0.158060D+00
                56            57            58            59            60 
      1   0.238862D+01  0.158060D+00  0.787838D+01  0.470577D+01 -0.119158D+01
      2   0.272713D+01 -0.124434D+01  0.470577D+01  0.112509D+01 -0.375118D+00
      3  -0.124434D+01  0.182676D+01 -0.119158D+01 -0.375118D+00  0.427405D+01
                61            62            63            64            65 
      1   0.230641D+00 -0.194542D+01  0.390772D+01  0.810766D+01  0.167967D+00
      2  -0.194542D+01 -0.165813D+01  0.410910D+01  0.167967D+00 -0.944858D+00
      3   0.390772D+01  0.410910D+01  0.554069D+01  0.121839D+01  0.914035D+00
                66            67            68            69            70 
      1   0.121839D+01 -0.281497D+00 -0.215607D+01  0.161726D+01  0.135693D+01
      2   0.914035D+00 -0.215607D+01  0.214169D+01 -0.132873D+01  0.163656D+01
      3   0.978924D-01  0.161726D+01 -0.132873D+01 -0.216445D+01  0.334687D+00
                71            72            73            74            75 
      1   0.163656D+01  0.334687D+00  0.936376D+01  0.103458D+01  0.167539D+01
      2  -0.131556D+01 -0.166583D+01  0.103458D+01 -0.379552D+01  0.124913D+01
      3  -0.166583D+01 -0.480013D+01  0.167539D+01  0.124913D+01 -0.179179D+01
                76            77            78            79            80 
      1  -0.310318D+01 -0.413242D+01  0.173104D+01  0.538954D+01  0.252236D+01
      2  -0.413242D+01  0.335516D+01  0.628035D+00  0.252236D+01  0.205853D+01
      3   0.173104D+01  0.628035D+00 -0.324225D+01 -0.214922D+01 -0.323787D+01
                81            82            83            84            85 
      1  -0.214922D+01  0.129484D+00  0.468894D+00  0.476772D+00  0.125644D+01
      2  -0.323787D+01  0.468894D+00  0.106340D+00 -0.279929D+00 -0.770840D+00
      3  -0.444214D+01  0.476772D+00 -0.279929D+00  0.299739D+00 -0.728801D+00
                86            87            88            89            90 
      1  -0.770840D+00 -0.728801D+00  0.204347D+01 -0.122521D+01 -0.109627D+01
      2   0.232342D+01  0.111304D+01 -0.122521D+01  0.244377D+01  0.269284D+01
      3   0.111304D+01  0.239080D+01 -0.109627D+01  0.269284D+01  0.486335D+01
                91            92            93            94            95 
      1  -0.232879D+01 -0.775670D+00 -0.171903D+01 -0.305196D+01 -0.172747D+01
      2  -0.775670D+00 -0.776760D+00 -0.251157D+00 -0.172747D+01 -0.134833D+01
      3  -0.171903D+01 -0.251157D+00 -0.147631D+01 -0.619203D+00 -0.147665D+01
                96            97            98            99           100 
      1  -0.619203D+00 -0.467944D+01 -0.513223D+00 -0.307239D+01 -0.477725D+00
      2  -0.147665D+01 -0.513223D+00 -0.150497D+01 -0.201758D+01  0.398243D-01
      3  -0.234681D+01 -0.307239D+01 -0.201758D+01 -0.770157D+01  0.669996D+00
               101           102           103           104           105 
      1   0.398243D-01  0.669996D+00  0.962993D+00  0.206969D+00 -0.487214D+00
      2   0.578860D+00 -0.158589D+00  0.206969D+00  0.301687D+00  0.949398D+00
      3  -0.158589D+00  0.105012D+01 -0.487214D+00  0.949398D+00  0.217805D+01
               106           107           108           109           110 
      1   0.103890D+01  0.907172D-01 -0.536659D+00  0.779159D+00 -0.904330D+00
      2   0.907172D-01  0.124539D+01  0.521129D+00 -0.904330D+00  0.208482D+01
      3  -0.536659D+00  0.521129D+00  0.724571D+01 -0.351054D+00 -0.487887D+00
               111           112           113           114           115 
      1  -0.351054D+00 -0.175281D+01  0.830575D+00  0.760620D-01 -0.703847D+00
      2  -0.487887D+00  0.830575D+00 -0.859785D+01  0.871588D+00 -0.334329D+00
      3   0.698220D+00  0.760620D-01  0.871588D+00 -0.116530D+01  0.302618D+00
               116           117           118           119           120 
      1  -0.334329D+00  0.302618D+00 -0.134893D+02 -0.257326D+01  0.918215D-01
      2  -0.107447D+00 -0.756596D+00 -0.257326D+01 -0.138891D+01  0.142204D+00
      3  -0.756596D+00  0.478900D+00  0.918215D-01  0.142204D+00 -0.116014D+01
               121           122           123           124           125 
      1  -0.630972D+00 -0.116911D+01 -0.245022D+00 -0.244833D+01 -0.547975D+00
      2  -0.116911D+01 -0.106334D+01 -0.658403D-01 -0.547975D+00 -0.653665D+00
      3  -0.245022D+00 -0.658403D-01  0.205461D+00 -0.111871D+01 -0.132343D-01
               126           127           128           129           130 
      1  -0.111871D+01 -0.319706D+01  0.206953D+01 -0.983980D-01  0.240612D+01
      2  -0.132343D-01  0.206953D+01 -0.223905D+01 -0.194694D+00 -0.259211D+01
      3   0.815551D-01 -0.983980D-01 -0.194694D+00 -0.169226D+00 -0.200611D+00
               131           132           133           134           135 
      1  -0.259211D+01 -0.200611D+00 -0.400248D+00 -0.767742D-01  0.275871D-01
      2   0.690873D+01  0.457300D+00 -0.767742D-01  0.325072D+00  0.155269D+00
      3   0.457300D+00  0.753215D+00  0.275871D-01  0.155269D+00 -0.474754D-01
               136           137           138           139           140 
      1   0.299596D+01  0.307036D+01  0.755586D+00  0.285393D+01  0.423470D+01
      2   0.307036D+01  0.321080D+01  0.741328D+00  0.423470D+01  0.882679D+01
      3   0.755586D+00  0.741328D+00  0.569866D+00  0.845549D+00  0.165829D+01
               141           142           143           144           145 
      1   0.845549D+00  0.770268D+00  0.983489D+00  0.328509D+00  0.136260D+02
      2   0.165829D+01  0.983489D+00  0.182951D+01  0.465920D+00  0.401603D+00
      3   0.113559D+01  0.328509D+00  0.465920D+00  0.277647D+00  0.131233D+01
               146           147           148           149           150 
      1   0.401603D+00  0.131233D+01  0.293680D+00  0.162202D+01  0.311934D+00
      2   0.771350D+00  0.240726D-01  0.162202D+01  0.157442D+00  0.161757D+00
      3   0.240726D-01  0.100716D+01  0.311934D+00  0.161757D+00  0.974359D-01
               151           152           153           154           155 
      1   0.152326D+01  0.321718D+00  0.217696D+00  0.410627D+01 -0.363174D+01
      2   0.321718D+00  0.983320D-01  0.213110D-01 -0.363174D+01  0.355625D+01
      3   0.217696D+00  0.213110D-01  0.189096D+00 -0.334212D+00  0.284239D+00
               156           157           158           159           160 
      1  -0.334212D+00 -0.348533D+01  0.459691D+01  0.644681D+00 -0.366498D+00
      2   0.284239D+00  0.459691D+01 -0.767115D+01 -0.902556D+00  0.479989D+00
      3   0.499652D+00  0.644681D+00 -0.902556D+00 -0.859051D+00  0.996283D-01
               161           162           163           164           165 
      1   0.479989D+00  0.996283D-01 -0.211749D+01 -0.191295D+01 -0.405147D+00
      2  -0.101499D+01 -0.305799D+00 -0.191295D+01 -0.201785D+01 -0.608533D+00
      3  -0.305799D+00 -0.174614D+00 -0.405147D+00 -0.608533D+00 -0.388107D+00
               166           167           168           169           170 
      1  -0.190281D+01 -0.237345D+01 -0.518918D+00 -0.541654D+00 -0.779413D+00
      2  -0.237345D+01 -0.728687D+01 -0.170173D+01 -0.779413D+00 -0.171878D+01
      3  -0.518918D+00 -0.170173D+01 -0.113954D+01 -0.140555D+00 -0.531083D+00
               171           172           173           174           175 
      1  -0.140555D+00 -0.115665D+02  0.197080D+01 -0.187701D+01  0.293764D+00
      2  -0.531083D+00  0.197080D+01 -0.117404D+01  0.129516D+00 -0.671214D+00
      3  -0.413591D+00 -0.187701D+01  0.129516D+00 -0.119575D+01 -0.343539D+00
               176           177           178           179           180 
      1  -0.671214D+00 -0.343539D+00 -0.331825D+01  0.393142D-01 -0.134977D+01
      2   0.448064D+00 -0.260875D+00  0.393142D-01 -0.575112D+00  0.430330D+00
      3  -0.260875D+00  0.576494D-01 -0.134977D+01  0.430330D+00 -0.797588D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.122586D+01 -0.132620D+00  0.203863D+01 -0.145214D+01  0.396870D+00
      2  -0.753726D+00  0.236432D+01  0.229879D+01 -0.117295D+01  0.305254D+01
      3  -0.159255D+01 -0.136636D+02 -0.220964D+01  0.441196D+01 -0.156244D+01
                 6             7             8             9            10 
      1  -0.203270D+01  0.693555D+01  0.260527D+01  0.156143D+01  0.144743D+00
      2  -0.414906D+01 -0.575924D+01 -0.103788D+02 -0.269592D+01  0.288588D+01
      3  -0.202539D+01 -0.645709D+00 -0.414728D+01  0.413788D+01  0.502522D+00
                11            12            13            14            15 
      1   0.753060D+00 -0.149316D+01  0.137659D+01 -0.935012D+00 -0.227677D+01
      2   0.146485D+01 -0.564300D+00  0.174421D+01 -0.151807D+01 -0.137160D+01
      3  -0.175019D+01 -0.159702D+01  0.422570D+00  0.761268D+01  0.168555D+00
                16            17            18            19            20 
      1  -0.592140D+01  0.233293D+01 -0.120853D+01  0.831939D+00 -0.478592D+00
      2  -0.139178D+02 -0.130248D+01 -0.310312D+01  0.223381D+00 -0.160498D+01
      3  -0.494348D+01 -0.963906D+00  0.612369D+01 -0.720232D+01  0.776489D+01
                21            22            23            24            25 
      1  -0.868267D+00 -0.283036D+01 -0.136349D+01  0.775818D+00  0.137198D+01
      2  -0.139852D+01 -0.240372D+01  0.383167D+00  0.665394D+00 -0.133151D+02
      3   0.567629D+00  0.172955D+02 -0.205486D-01  0.407422D+00  0.451751D+00
                26            27            28            29            30 
      1   0.101713D+02  0.203951D+01 -0.890656D+00 -0.357244D+00  0.217636D+01
      2   0.344605D+00 -0.257025D+00  0.197433D+01 -0.236976D+00 -0.538402D+00
      3   0.356855D+01 -0.741150D+00  0.632092D+01 -0.122412D+01  0.176021D+01
                31            32            33            34            35 
      1  -0.126197D+01 -0.262830D+00 -0.214239D+01  0.522081D+01  0.256599D+01
      2   0.393303D+01  0.128420D+01  0.818409D+00 -0.134615D+02  0.610861D+00
      3   0.549416D+01 -0.569795D+01  0.267463D+00  0.225685D+01 -0.121905D+01
                36            37            38            39            40 
      1   0.700266D-01  0.100738D+01  0.774069D+00 -0.116510D+01  0.115119D+01
      2  -0.333813D+00  0.140562D+00  0.109723D+01  0.584791D+00  0.855611D+00
      3  -0.565623D+01 -0.331046D+01 -0.107701D+02 -0.210369D+01  0.558340D+01
                41            42            43            44            45 
      1  -0.908083D-01 -0.218388D+01 -0.567824D+01  0.158214D+01 -0.902453D+00
      2  -0.278598D+01  0.409310D+01 -0.786915D+01  0.970114D+01  0.358999D+01
      3  -0.148870D+01  0.164969D+01 -0.700503D+00  0.217923D+01 -0.488900D+01
                46            47            48            49            50 
      1   0.891823D-01 -0.930031D+00 -0.468061D+00 -0.126705D+01 -0.255445D+01
      2  -0.479507D-01  0.975494D-01  0.635279D+01 -0.342866D+01 -0.199597D+00
      3   0.474868D+00 -0.689305D+01  0.845782D-03  0.124386D+02  0.334674D+01
                51            52            53            54            55 
      1   0.136710D+01 -0.986035D+00  0.116594D+02  0.212165D+01 -0.223610D+01
      2  -0.350187D+00  0.841926D+01  0.616622D+00  0.194044D+01  0.211874D+01
      3   0.171990D+01  0.342975D+01  0.736930D+00  0.841716D+00  0.722139D+01
                56            57            58            59            60 
      1  -0.144579D+00  0.329397D+00 -0.224700D+01 -0.155033D+01  0.172591D+01
      2   0.235878D+01 -0.155632D+01  0.481486D+01  0.257831D+01 -0.670495D+01
      3   0.222737D+01 -0.136323D+01  0.132083D+02 -0.394110D+01  0.547203D+00
                61            62            63            64            65 
      1   0.474619D+01  0.701305D+01 -0.842624D+00 -0.281822D+01 -0.159551D+01
      2  -0.142609D+02 -0.835021D+01 -0.868234D+01  0.349222D+00 -0.133900D+01
      3  -0.167155D+01 -0.474749D+01  0.837506D+01  0.175322D+02 -0.804414D+01
                66            67            68            69            70 
      1   0.155796D+00 -0.783083D+00 -0.692423D+00 -0.579764D+00 -0.496246D+01
      2   0.339598D+01 -0.266658D+01  0.223475D+01  0.481589D+01 -0.401921D+01
      3   0.465481D+01  0.293221D+01  0.414678D+01 -0.237361D+01  0.543184D+01
                71            72            73            74            75 
      1   0.848762D+01  0.100765D+02  0.466741D+01 -0.211495D+01 -0.231646D+01
      2   0.637632D+01  0.107259D+02 -0.121719D+02 -0.525852D+01  0.628018D+01
      3  -0.131727D+01 -0.477599D+01 -0.988891D+01 -0.170605D+02  0.112573D+01
                76            77            78            79            80 
      1   0.352231D+00  0.965797D+01 -0.753373D+01 -0.133888D+01 -0.267137D+01
      2  -0.705138D+01  0.232353D+00  0.710265D+01  0.175656D+01  0.709857D+01
      3  -0.103267D+02  0.198652D+02 -0.357647D+00  0.201177D+01  0.155514D+01
                81            82            83            84            85 
      1  -0.764937D+01 -0.611977D+00  0.590573D+00 -0.206163D+00  0.129007D+01
      2   0.122686D+02 -0.191065D+01  0.948153D+00 -0.158797D+00  0.185348D+01
      3  -0.683599D+01  0.245667D+01  0.558075D+00 -0.150005D-01  0.807210D+00
                86            87            88            89            90 
      1  -0.245537D+01 -0.559184D+01  0.285926D+01 -0.334589D+01 -0.112887D+02
      2  -0.287553D+01 -0.626431D+01  0.467151D-01 -0.701671D+01 -0.114411D+02
      3   0.491474D+01  0.213839D+01  0.613971D+00  0.625679D+01  0.658201D+01
                91            92            93            94            95 
      1  -0.100047D+01  0.124772D+01 -0.467838D+00  0.126142D+01  0.636403D+00
      2   0.166863D+01  0.504394D+00  0.288529D+01 -0.271784D+00  0.138977D+01
      3  -0.174066D+01 -0.376825D+01 -0.435909D+00 -0.182355D+01 -0.156266D+01
                96            97            98            99           100 
      1  -0.134787D+01 -0.157230D+01  0.188655D+01 -0.141056D+01  0.864501D+00
      2   0.430670D+01  0.152030D+01  0.329538D+01  0.126758D+02 -0.183674D+01
      3  -0.325520D+01  0.994998D-01 -0.312786D+01 -0.440109D+01  0.808185D+00
               101           102           103           104           105 
      1   0.934010D+00  0.109166D+01  0.103410D+00  0.219199D+01  0.205297D+01
      2   0.933481D-01 -0.214208D+01 -0.119362D+00 -0.252946D+01 -0.512819D+01
      3   0.107785D+01 -0.819079D+00  0.129872D+01  0.433781D+00  0.241043D+01
               106           107           108           109           110 
      1  -0.363516D+00  0.477563D+01  0.103857D+02 -0.206987D+01  0.175407D+01
      2  -0.291651D+01 -0.201175D+01 -0.176391D+02 -0.198413D+00  0.168155D+01
      3  -0.109267D+01  0.337871D+01  0.224422D+01 -0.730368D+01  0.754903D+01
               111           112           113           114           115 
      1   0.163179D+01  0.169871D+01 -0.634193D+01 -0.335342D+01  0.840297D+00
      2  -0.976259D+00  0.152287D+01 -0.315496D+01  0.212018D+01 -0.160156D+01
      3  -0.822588D-01  0.985066D+01 -0.241186D+02  0.179939D+01  0.117125D+01
               116           117           118           119           120 
      1  -0.289849D+00  0.413986D+00 -0.585646D+00 -0.721630D+00 -0.201206D+01
      2   0.136771D+01 -0.989055D+00  0.751725D+01  0.844646D+00  0.642081D+01
      3  -0.642706D+00 -0.242433D+01  0.104943D+02 -0.423100D+01  0.603858D+00
               121           122           123           124           125 
      1  -0.454977D+00 -0.842440D+00 -0.463176D+00 -0.139835D+01  0.669125D+00
      2   0.151300D+01  0.653635D+00 -0.283433D+00  0.230244D+01 -0.148124D+00
      3   0.717798D-01 -0.223763D+01 -0.243208D+00  0.497687D+00 -0.120151D+01
               126           127           128           129           130 
      1  -0.143478D-01  0.112690D+01 -0.284709D+00  0.151321D+01 -0.478225D-01
      2   0.310330D+00  0.151015D+01 -0.974477D-01 -0.144809D+00 -0.476386D+00
      3   0.140858D+01 -0.104994D+02  0.469071D+01 -0.434771D+00  0.847999D+01
               131           132           133           134           135 
      1  -0.215790D-01 -0.322566D+01 -0.430658D+00  0.163264D+01  0.169751D+00
      2   0.879557D+00 -0.708181D+00 -0.127612D+01  0.274645D+00 -0.733558D-01
      3  -0.638498D+01 -0.761649D+00 -0.719251D+00  0.912320D-02  0.105147D+00
               136           137           138           139           140 
      1  -0.277163D+00 -0.275615D-01 -0.191563D+01 -0.143437D+00  0.469240D+00
      2   0.558505D+00  0.842606D+00  0.210076D+01  0.735551D+00  0.267503D+01
      3  -0.108648D+01 -0.317691D+01 -0.477755D+00 -0.227436D+01 -0.133710D+02
               141           142           143           144           145 
      1  -0.399492D+01  0.522853D+00  0.174778D+01 -0.551634D+00 -0.128810D+00
      2   0.344846D+01 -0.317089D+00 -0.731954D-01  0.629407D+00  0.196377D+01
      3  -0.228461D+01 -0.372038D+00 -0.266736D+01 -0.358496D+00  0.401387D+00
               146           147           148           149           150 
      1   0.414230D+00 -0.206968D+00  0.222608D+00  0.128829D-01 -0.320607D+00
      2  -0.120320D+00  0.632003D+01  0.123414D+01  0.358833D+00  0.358733D+00
      3  -0.520735D+01  0.240555D+00 -0.405871D+01 -0.229201D+00 -0.426297D+00
               151           152           153           154           155 
      1   0.717232D-01  0.418305D+00 -0.374179D-01  0.293105D+00 -0.603991D+00
      2  -0.215832D+01  0.813481D-01  0.656919D+00  0.288292D+00 -0.350057D+00
      3  -0.107824D+01 -0.493744D+00 -0.308141D+00  0.133561D+01 -0.455225D+01
               156           157           158           159           160 
      1   0.204494D+01  0.258901D+00  0.222706D+00 -0.359107D+01 -0.908735D+00
      2   0.232192D+01  0.465981D+00 -0.100275D+01 -0.320806D+01 -0.551851D+00
      3  -0.480696D-01 -0.342141D+01  0.124213D+02  0.110358D+01 -0.578521D+00
               161           162           163           164           165 
      1   0.139180D+01 -0.299447D+00  0.740454D+00  0.348296D+00 -0.158827D+01
      2   0.492416D+00 -0.332222D+00 -0.163121D+01 -0.978442D+00  0.174687D+00
      3   0.195266D+01  0.420138D+00  0.785401D+01  0.452465D+01  0.793161D+00
               166           167           168           169           170 
      1   0.698149D+00  0.103755D+01 -0.355804D+01  0.497823D+00  0.224578D+01
      2  -0.168508D+01 -0.161919D+01  0.332680D+00 -0.167323D+01 -0.494837D+00
      3   0.779017D+01  0.834569D+01  0.183216D+01  0.162321D+01  0.257538D+01
               171           172           173           174           175 
      1  -0.454798D+00  0.207916D+01  0.575385D+00  0.172620D+01  0.848470D+00
      2   0.201504D+00 -0.142201D+01 -0.974278D-01  0.469758D+01  0.603168D+00
      3   0.207410D+00 -0.133280D+02 -0.353249D+01 -0.237950D+01 -0.172082D+00
               176           177           178           179           180 
      1   0.270799D+00 -0.800646D-01  0.104445D+01  0.603216D+00  0.404999D-01
      2  -0.366045D-01  0.105781D+00  0.104387D+01 -0.103362D+01  0.132369D+01
      3   0.779472D-01 -0.109211D+01 -0.578561D+01 -0.168435D+01 -0.554555D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.285792D+01  0.210216D+02  0.443712D+01 -0.255729D+02  0.605621D+01
      2  -0.579640D+01 -0.120701D+02 -0.383930D+00  0.239709D+02 -0.110460D+02
      3   0.293848D+01 -0.895144D+01 -0.405319D+01  0.160201D+01  0.498982D+01
      4   0.189460D+02  0.872563D+00  0.409185D+01  0.466843D+01  0.134529D+02
      5   0.569754D+00  0.375093D+01  0.489129D+01 -0.382108D+01  0.742057D+01
      6   0.187919D+01 -0.274495D+01 -0.504528D+01  0.604789D+01 -0.520725D+01
                 6             7             8             9            10 
      1   0.705413D+00 -0.687905D+01  0.583521D+01  0.498399D+00  0.797424D+01
      2  -0.984070D+00  0.827370D+01 -0.806612D+01 -0.625927D+01 -0.635032D+01
      3   0.278657D+00 -0.139466D+01  0.223091D+01  0.576087D+01 -0.162392D+01
      4   0.812202D+01  0.187994D+01  0.737973D+01 -0.151862D+02 -0.122461D+02
      5  -0.858937D+01  0.178474D+02 -0.154411D+02 -0.685201D+01 -0.556520D+00
      6   0.508362D+01 -0.812837D+01  0.128052D+02 -0.151550D+01 -0.247588D+01
                11            12            13            14            15 
      1  -0.114542D+02  0.106639D+00  0.348929D+01  0.747495D+01  0.488850D+01
      2   0.921724D+01 -0.112202D+01 -0.105831D+02 -0.100984D+02 -0.596244D+01
      3   0.223699D+01  0.101538D+01  0.709377D+01  0.262346D+01  0.107395D+01
      4  -0.169155D+02 -0.408858D+01  0.115070D+02 -0.122259D+02 -0.191892D+01
      5  -0.397229D+01 -0.309073D+01  0.103779D+01 -0.211643D+01 -0.545024D+00
      6  -0.212950D+01  0.336949D+01 -0.540951D+01 -0.896012D+01  0.266537D+01
                16            17            18            19            20 
      1   0.193464D+01  0.154163D+01 -0.156492D+02 -0.222248D+02 -0.197870D+00
      2  -0.453367D+01 -0.700572D+01  0.114048D+01  0.726214D+01  0.110803D+00
      3   0.259903D+01  0.546409D+01  0.145088D+02  0.149627D+02  0.870663D-01
      4   0.239598D+00 -0.379956D+01 -0.612135D+01  0.147405D+02  0.428231D+01
      5  -0.482109D+00 -0.508779D+01 -0.523988D+01  0.992183D+00  0.403787D+00
      6   0.341997D+01  0.123294D+02  0.551467D+01 -0.940494D+00  0.706983D-02
                21            22            23            24            25 
      1   0.666444D+00  0.550539D+00 -0.602497D+01  0.290140D+00 -0.862502D+01
      2  -0.753308D+00 -0.161927D+01  0.107793D+02  0.342255D+01  0.236881D+01
      3   0.868641D-01  0.106873D+01 -0.475434D+01 -0.371269D+01  0.625621D+01
      4   0.835904D+00 -0.859598D+01 -0.250739D+01 -0.138484D+01 -0.272097D+01
      5   0.484835D+00 -0.350301D+01 -0.570964D+00  0.142384D+01  0.277992D+01
      6   0.778097D+00 -0.244476D+01  0.207699D+01 -0.117629D+01 -0.842199D+00
                26            27            28            29            30 
      1  -0.797011D+00 -0.952023D+01  0.592361D+01  0.140363D+02  0.382342D+01
      2   0.133889D+01 -0.376944D+01 -0.551848D+01 -0.103566D+02 -0.125707D+01
      3  -0.541882D+00  0.132897D+02 -0.405127D+00 -0.367970D+01 -0.256635D+01
      4  -0.342917D+01  0.289295D+01  0.522557D+01 -0.117701D+02 -0.353808D+00
      5   0.219004D+01 -0.823550D+00  0.155901D+01 -0.673886D+00 -0.691963D+00
      6   0.423653D+01 -0.343288D+01  0.292178D+01 -0.269179D+01 -0.478260D+01
                31            32            33            34            35 
      1  -0.264658D+01  0.305084D+01  0.205050D+01 -0.624719D+00  0.314538D+01
      2   0.114826D+02 -0.724167D+01 -0.172433D+01  0.296265D+01 -0.471602D+01
      3  -0.883603D+01  0.419083D+01 -0.326176D+00 -0.233793D+01  0.157064D+01
      4   0.297773D+01  0.136141D+02  0.218402D+01  0.584634D+00 -0.172434D+01
      5   0.134122D+01  0.205836D+01  0.243218D+00  0.386321D+01  0.317138D+01
      6   0.579258D+01 -0.278520D+01  0.528925D+01 -0.292797D+01  0.145074D+02
                36            37            38            39            40 
      1  -0.146069D+02  0.320697D+01 -0.195028D+02 -0.198250D+01  0.253486D+02
      2   0.330651D+01 -0.388682D+01  0.123697D+02  0.846581D+00 -0.231387D+02
      3   0.113004D+02  0.679853D+00  0.713310D+01  0.113592D+01 -0.220986D+01
      4   0.288957D+01 -0.109210D+02 -0.577499D+01 -0.527255D+01  0.522552D+01
      5  -0.124538D+01 -0.420111D+01 -0.498703D+01 -0.588741D+00 -0.530254D+00
      6   0.924955D+00 -0.570048D+01 -0.229574D+01  0.327666D+01 -0.497564D+01
                41            42            43            44            45 
      1   0.103537D+02  0.265585D+01  0.298507D+01 -0.266460D+01 -0.469326D+01
      2  -0.142887D+02 -0.543738D+01 -0.691664D+01 -0.528328D+01 -0.490214D+01
      3   0.393494D+01  0.278154D+01  0.393158D+01  0.794788D+01  0.959540D+01
      4  -0.685679D+01 -0.568489D+01 -0.524821D+01 -0.100426D+02  0.154482D+02
      5  -0.574615D+01  0.882688D+01  0.130348D+02  0.157939D+02  0.725165D+01
      6  -0.871105D+01  0.379665D+01  0.678389D+01  0.134612D+02  0.293348D+01
                46            47            48            49            50 
      1  -0.126486D+02 -0.994239D+00 -0.658569D+01  0.411437D+01 -0.200690D+02
      2   0.859099D+01  0.823330D+00  0.402060D+01 -0.224423D+01  0.167142D+02
      3   0.405757D+01  0.170909D+00  0.256510D+01 -0.187014D+01  0.335479D+01
      4  -0.198030D+01  0.231142D+02  0.131851D+01 -0.189229D+02 -0.588122D+01
      5  -0.820479D+01  0.117569D+01  0.142085D+02 -0.100324D+02 -0.269163D+01
      6   0.134372D+01  0.854380D+00  0.117349D+01 -0.267042D+01  0.304779D+01
                51            52            53            54            55 
      1  -0.625284D+01 -0.981020D+01 -0.666770D+01  0.148256D+02  0.168927D+02
      2   0.767338D+01  0.389190D+01  0.557773D+01 -0.178534D+02 -0.585527D+01
      3  -0.142054D+01  0.591830D+01  0.108997D+01  0.302779D+01 -0.110374D+02
      4  -0.346228D+01 -0.110476D+02  0.116548D+01 -0.600458D+00 -0.996586D+01
      5  -0.101857D+01  0.358219D+02  0.290668D+00  0.516535D+01 -0.370589D+00
      6  -0.293283D+01  0.233328D+00  0.435987D+01 -0.302771D+01  0.652408D-01
                56            57            58            59            60 
      1   0.902267D+00 -0.747437D+00  0.107601D+01 -0.771340D+01  0.165919D+01
      2   0.152027D+01  0.999641D+00  0.549349D+01  0.451948D+01 -0.757160D+00
      3  -0.242254D+01 -0.252203D+00 -0.656950D+01  0.319393D+01 -0.902026D+00
      4  -0.170544D+02  0.450080D+01 -0.295882D+02 -0.408611D+01  0.333146D+01
      5   0.493609D+01 -0.114892D+02  0.958747D+01  0.234821D+01 -0.177650D+02
      6   0.271518D+01 -0.195072D+01  0.444136D+01  0.645926D+01 -0.110359D+02
                61            62            63            64            65 
      1   0.124744D+02  0.605689D+01  0.745031D-01 -0.414735D+02  0.565199D+01
      2   0.231907D+01  0.296085D+01  0.889146D+01  0.249004D+02 -0.580780D+01
      3  -0.147934D+02 -0.901775D+01 -0.896597D+01  0.165731D+02  0.155815D+00
      4   0.130727D+02  0.972543D+01 -0.218919D+02  0.114519D+02  0.976460D+01
      5  -0.204246D+02 -0.200940D+02 -0.228019D+02 -0.128912D+02 -0.400689D+01
      6  -0.116521D+02 -0.492324D+01 -0.526385D+01  0.308190D+01  0.226489D+01
                66            67            68            69            70 
      1  -0.943349D+01 -0.500752D+00 -0.215077D+01 -0.644201D+00 -0.967044D+01
      2   0.634833D+01 -0.340087D+01  0.143345D+02 -0.992947D+00  0.804088D+01
      3   0.308516D+01  0.390162D+01 -0.121837D+02  0.163715D+01  0.162956D+01
      4  -0.295154D+01  0.192895D+02 -0.151011D+02  0.747282D+01 -0.836476D+01
      5   0.281190D+01 -0.111937D+02  0.667988D+01  0.924272D+01  0.860743D+00
      6  -0.709213D+00  0.243775D+01 -0.909958D+01  0.254985D+01  0.306241D+01
                71            72            73            74            75 
      1   0.102874D+01 -0.184241D+01 -0.578665D+02 -0.174931D+02 -0.191785D+01
      2  -0.271034D+01 -0.630828D+01  0.237604D+02  0.166530D+02  0.394839D+01
      3   0.168161D+01  0.815069D+01  0.341061D+02  0.840191D+00 -0.203054D+01
      4   0.932580D+01  0.906912D+01 -0.200580D+02  0.149665D+02 -0.674763D+01
      5   0.836195D+01  0.226305D+02 -0.304255D+01 -0.408607D+01  0.102913D+02
      6  -0.143809D+01 -0.162403D+02 -0.416554D+01 -0.592950D+01  0.414827D+01
                76            77            78            79            80 
      1  -0.889695D+01  0.217001D+02  0.191887D+01 -0.121633D+02 -0.185097D+00
      2   0.820488D+01 -0.251082D+02  0.634538D+01  0.558218D+01  0.250904D+01
      3   0.692066D+00  0.340810D+01 -0.826425D+01  0.658110D+01 -0.232394D+01
      4   0.193738D+02 -0.710067D+01 -0.428455D+01 -0.170283D+02 -0.104629D+02
      5  -0.909735D+01 -0.699715D+01  0.152987D+02  0.146583D+02  0.167540D+02
      6  -0.652296D+01 -0.340627D+01  0.791840D+01  0.820974D+01  0.911078D+01
                81            82            83            84            85 
      1   0.118434D+02  0.182455D+01 -0.337484D+01 -0.284643D+01 -0.472059D+01
      2   0.877614D+01 -0.646876D+00  0.116154D+01  0.594721D+00  0.101838D+01
      3  -0.206195D+02 -0.117767D+01  0.221330D+01  0.225171D+01  0.370221D+01
      4   0.200880D+02 -0.409881D+01  0.111440D+01  0.308541D+01  0.635569D+01
      5   0.165024D+02 -0.290131D+01  0.238753D+01  0.588063D+00  0.423402D+01
      6   0.207497D+00  0.203273D+01 -0.873671D+00  0.109524D+00 -0.240340D+01
                86            87            88            89            90 
      1  -0.304241D+01 -0.671646D+00 -0.688125D+01 -0.123276D+01 -0.611668D+01
      2   0.501067D+01  0.268122D+01  0.288082D+01  0.314526D+01  0.271802D+01
      3  -0.196826D+01 -0.200958D+01  0.400043D+01 -0.191250D+01  0.339865D+01
      4  -0.114105D+02 -0.637394D+01  0.930320D+01 -0.130536D+02 -0.132002D+02
      5  -0.550290D+01 -0.121868D+02  0.705816D+01 -0.133267D+02 -0.238224D+02
      6   0.530364D+01  0.997603D+01 -0.379616D+01  0.112144D+02  0.160024D+02
                91            92            93            94            95 
      1   0.513758D+01  0.148443D+01  0.418230D+01  0.838930D+00 -0.254157D+01
      2  -0.664559D+01 -0.140701D+01 -0.443739D+01 -0.258417D+01 -0.432101D+00
      3   0.150801D+01 -0.774163D-01  0.255083D+00  0.174524D+01  0.297367D+01
      4   0.484533D+01  0.725440D+01  0.253000D+01  0.105023D+02  0.635703D+01
      5   0.979980D+01  0.257437D+01  0.126499D+02  0.390571D+01  0.627979D+01
      6   0.305544D+01  0.252533D-02  0.165189D+01  0.212727D+01  0.469771D+01
                96            97            98            99           100 
      1  -0.288917D+01  0.272131D+01 -0.325608D+01 -0.108197D+02  0.381151D+01
      2  -0.819681D+00 -0.923014D+01 -0.255267D+01 -0.150199D+02 -0.402903D+01
      3   0.370885D+01  0.650883D+01  0.580875D+01  0.258397D+02  0.217516D+00
      4   0.662152D+01  0.318687D+01  0.713948D+01  0.968834D+01  0.132764D+01
      5   0.100083D+02  0.195436D+02  0.915943D+01  0.329629D+02 -0.279283D+01
      6   0.986202D+01  0.522904D+01  0.687133D+01  0.113646D+02 -0.777608D-01
               101           102           103           104           105 
      1   0.163003D+01 -0.632607D+01 -0.180233D+01 -0.443432D+01 -0.201302D+01
      2  -0.176677D+01  0.738711D+00  0.177856D+01  0.990350D+00 -0.570132D+01
      3   0.136732D+00  0.558736D+01  0.237640D-01  0.344397D+01  0.771435D+01
      4  -0.166570D+01 -0.465384D+00 -0.356345D+00 -0.250391D+01 -0.454398D+01
      5   0.878378D+00  0.742642D+00  0.383989D+01 -0.335175D+01 -0.967097D+01
      6   0.164784D+01 -0.143132D+01  0.338041D-01  0.162067D+01  0.323445D+01
               106           107           108           109           110 
      1  -0.562696D+01 -0.341973D+00 -0.172914D+02 -0.240778D+01  0.991178D+01
      2   0.405910D+01 -0.410854D+01 -0.171802D+02  0.519516D+01 -0.110083D+02
      3   0.156786D+01  0.445052D+01  0.344716D+02 -0.278737D+01  0.109651D+01
      4  -0.245685D+01 -0.640089D+01 -0.480588D+01  0.961026D+00 -0.351007D+01
      5   0.737458D+01 -0.245151D+01 -0.300357D+02  0.204106D+01  0.344009D-01
      6   0.813617D+00  0.391767D+01 -0.940294D+01 -0.917310D-02  0.272062D+01
               111           112           113           114           115 
      1  -0.719589D+00  0.100679D+02 -0.277392D+02  0.243067D+01  0.177950D+01
      2  -0.161701D+00 -0.785554D+01  0.415506D+02 -0.137073D+01 -0.102201D+01
      3   0.881290D+00 -0.221238D+01 -0.138114D+02 -0.105994D+01 -0.757492D+00
      4   0.164188D+01  0.348214D+01  0.326479D+02 -0.369648D+01  0.252945D+01
      5  -0.210254D+01 -0.291257D+01 -0.144795D+01  0.444004D+01 -0.124516D+00
      6  -0.271954D+01  0.745174D+00 -0.885701D+01  0.641686D+01 -0.163251D+01
               116           117           118           119           120 
      1   0.115462D+01 -0.561077D+01  0.817157D+02  0.115796D+02  0.240635D+01
      2   0.633434D+00  0.319545D+01 -0.384353D+02 -0.267981D+01  0.263670D+00
      3  -0.178805D+01  0.241533D+01 -0.432805D+02 -0.889982D+01 -0.267002D+01
      4   0.135773D+01  0.155415D+01  0.350843D+02  0.163284D+02 -0.983141D-01
      5   0.221478D+01 -0.136177D+01 -0.954669D+01 -0.201975D+01  0.103371D+02
      6   0.664045D+01 -0.123231D+01 -0.889691D+00 -0.157328D+01  0.368196D+01
               121           122           123           124           125 
      1   0.216166D+01  0.499482D+01  0.468970D+00  0.103332D+02  0.968862D+00
      2   0.194069D+01  0.101223D+01 -0.641303D+00 -0.426707D+01  0.258935D+00
      3  -0.410235D+01 -0.600705D+01  0.172334D+00 -0.606616D+01 -0.122780D+01
      4   0.131745D+02  0.820251D+01  0.544554D+00  0.510715D+01  0.383224D+01
      5   0.535730D+00 -0.215538D+00 -0.488528D+00  0.105132D+02  0.788475D+00
      6  -0.944763D+00 -0.609688D+00  0.915235D+00  0.336807D+01  0.865647D+00
               126           127           128           129           130 
      1   0.615447D+01 -0.359574D+01  0.675601D+01  0.962441D+00  0.770333D+01
      2  -0.544586D+01  0.589732D+01 -0.972951D+01 -0.678336D+00 -0.108272D+02
      3  -0.708619D+00 -0.230158D+01  0.297350D+01 -0.284105D+00  0.312390D+01
      4   0.177511D+01 -0.800981D+01  0.630922D+01  0.692909D+00  0.673937D+01
      5   0.350670D-01 -0.201540D+00  0.108751D+01  0.383430D+00  0.912025D+00
      6   0.599976D+00 -0.747339D+00 -0.239371D+00 -0.157837D+01 -0.824574D+00
               131           132           133           134           135 
      1  -0.251383D+02 -0.210193D+01  0.652388D+00 -0.101755D+01 -0.101470D+01
      2   0.340814D+02  0.171472D+01 -0.898505D+00  0.154489D+01  0.149447D+01
      3  -0.894306D+01  0.387212D+00  0.246116D+00 -0.527344D+00 -0.479768D+00
      4  -0.653295D+01 -0.424194D+00 -0.730676D-01  0.208072D+00 -0.141777D+01
      5  -0.961296D+00 -0.849903D+00  0.790439D+00 -0.833789D+00 -0.299120D-01
      6   0.247417D+01  0.505579D+01 -0.607968D+00  0.213038D+01  0.226959D+00
               136           137           138           139           140 
      1   0.849125D+01  0.697242D+01  0.128998D+01  0.689451D+00 -0.106837D+02
      2   0.224580D+01  0.433269D+01  0.691054D-01  0.114272D+02  0.322302D+02
      3  -0.107370D+02 -0.113051D+02 -0.135909D+01 -0.121166D+02 -0.215465D+02
      4   0.235196D+02  0.265068D+02  0.541929D+01  0.283553D+02  0.489864D+02
      5   0.502504D+01  0.516557D+01  0.527311D+01  0.527184D+01  0.823942D+01
      6   0.370962D+01  0.402534D+01  0.321285D+01  0.524451D+01  0.106883D+02
               141           142           143           144           145 
      1  -0.218209D+01  0.901437D+00 -0.138517D+01 -0.135757D+01  0.103159D+03
      2   0.408519D+01  0.155067D+01  0.496363D+01  0.217234D+01 -0.593809D+02
      3  -0.190309D+01 -0.245211D+01 -0.357846D+01 -0.814776D+00 -0.437778D+02
      4   0.883251D+01  0.702441D+01  0.101050D+02  0.382985D+01  0.422620D+01
      5   0.608913D+01  0.235564D+01  0.327925D+01  0.206252D+01  0.123036D+02
      6   0.808483D+01  0.247940D+01  0.472957D+01  0.283347D+01 -0.202508D+01
               146           147           148           149           150 
      1   0.302499D+01  0.826490D+01  0.166706D+01  0.968586D+01  0.130853D+01
      2  -0.150410D+01 -0.567797D+01 -0.732345D+00 -0.497809D+01 -0.113087D+01
      3  -0.152090D+01 -0.258693D+01 -0.934720D+00 -0.470778D+01 -0.177663D+00
      4   0.846672D+01  0.463986D-01  0.154140D+02  0.122504D+01  0.143902D+01
      5   0.743552D-01  0.109842D+02  0.250535D+01  0.148746D+01  0.549024D+00
      6   0.518017D+00 -0.265881D-02  0.107838D+01 -0.250635D+00  0.158216D+01
               151           152           153           154           155 
      1   0.108328D+02  0.155281D+01  0.416811D+01  0.157466D+02 -0.108252D+02
      2  -0.655815D+01 -0.101496D+01 -0.282518D+01 -0.468732D+00 -0.319631D+01
      3  -0.427460D+01 -0.537849D+00 -0.134293D+01 -0.152779D+02  0.140215D+02
      4   0.261261D+01  0.118252D+01  0.584485D+00 -0.298809D+02  0.301642D+02
      5   0.476703D+01  0.397478D+00  0.244348D+01 -0.373812D+01  0.279105D+01
      6   0.112066D+00  0.787333D+00  0.304288D+00  0.125819D+01 -0.107507D+01
               156           157           158           159           160 
      1  -0.143893D+01 -0.534773D+01 -0.187927D+01  0.806704D-02  0.393808D+00
      2   0.374740D+00 -0.952818D+01  0.238231D+02  0.125072D+01 -0.151662D+01
      3   0.106419D+01  0.148759D+02 -0.219438D+02 -0.125879D+01  0.112281D+01
      4   0.254536D+01  0.331211D+02 -0.484025D+02 -0.556537D+01  0.339014D+01
      5   0.501942D+01  0.483167D+01 -0.627118D+01 -0.555596D+01  0.203855D+01
      6  -0.280199D+01 -0.310721D+01  0.472669D+01  0.610084D+01 -0.172343D+01
               161           162           163           164           165 
      1  -0.980437D+00 -0.800687D+00 -0.510932D+01 -0.731295D+01 -0.281819D+01
      2   0.279411D+01  0.141800D+01  0.620200D+01  0.855369D+01  0.195374D+01
      3  -0.181367D+01 -0.617310D+00 -0.109268D+01 -0.124073D+01  0.864446D+00
      4  -0.539732D+01 -0.299605D+01  0.525959D+01  0.679822D+01  0.123264D+01
      5  -0.217970D+01 -0.104476D+01  0.440746D+00  0.893852D+00  0.145497D+01
      6   0.311129D+01  0.139804D+01  0.254821D+01  0.405000D+01  0.256909D+01
               166           167           168           169           170 
      1  -0.831935D+01 -0.286416D+02 -0.739341D+01 -0.242312D+01 -0.660076D+01
      2   0.102563D+02  0.363302D+02  0.665849D+01  0.263752D+01  0.736733D+01
      3  -0.193690D+01 -0.768853D+01  0.734919D+00 -0.214403D+00 -0.766576D+00
      4   0.574471D+01  0.185233D+01  0.511252D-01  0.163254D+01  0.875324D+00
      5   0.559319D+00 -0.572770D+00  0.129036D+00  0.125890D+01  0.668916D+00
      6   0.329771D+01  0.117536D+02  0.791352D+01  0.136373D+01  0.451031D+01
               171           172           173           174           175 
      1  -0.288158D+01  0.699373D+02 -0.103464D+02  0.119457D+02 -0.634821D+00
      2   0.276784D+01 -0.377167D+02  0.404925D+01 -0.732105D+01 -0.158961D+01
      3   0.113736D+00 -0.322206D+02  0.629715D+01 -0.462463D+01  0.222443D+01
      4   0.189388D+01 -0.273247D+02  0.117179D+02 -0.353351D+01  0.754665D+01
      5   0.100500D+01  0.181679D+02 -0.197798D+01  0.105483D+02  0.252838D+01
      6   0.315757D+01 -0.486459D+01  0.747007D+00 -0.294962D+01  0.508616D+00
               176           177           178           179           180 
      1   0.276217D+01  0.281052D+01  0.160610D+02  0.891903D+00  0.617025D+01
      2  -0.223310D+00 -0.240324D+01 -0.112590D+02 -0.589526D+00 -0.478758D+01
      3  -0.253886D+01 -0.407282D+00 -0.480195D+01 -0.302377D+00 -0.138267D+01
      4  -0.262679D+01  0.119224D+01 -0.362355D+01  0.201349D+01 -0.349393D+01
      5   0.193201D+01  0.419239D+00  0.124790D+02 -0.255344D+01  0.565028D+01
      6  -0.532360D+00  0.140592D+01 -0.266225D+01  0.174227D+01 -0.922774D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x         -0.448079D+00     -0.113890D+01     -0.379898D+01
   y         -0.269225D+00     -0.684303D+00     -0.228259D+01
   z          0.251131D+00      0.638311D+00      0.212918D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.126730D+03      0.187794D+02      0.208949D+02
   yx         0.903546D+00      0.133892D+00      0.148975D+00
   yy         0.104140D+03      0.154319D+02      0.171703D+02
   zx         0.281518D+01      0.417167D+00      0.464160D+00
   zy         0.483741D+01      0.716830D+00      0.797581D+00
   zz         0.670564D+02      0.993673D+01      0.110561D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106563D+03      0.157910D+02      0.175699D+02
   aniso      0.559482D+02      0.829067D+01      0.922462D+01
   xx         0.136014D+03      0.201552D+02      0.224257D+02
   yx         0.110229D+01      0.163342D+00      0.181743D+00
   yy         0.110970D+03      0.164440D+02      0.182964D+02
   zx         0.245182D+01      0.363322D+00      0.404251D+00
   zy         0.442963D+01      0.656403D+00      0.730347D+00
   zz         0.727058D+02      0.107739D+02      0.119876D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.53607466         -2.91565787         -2.07048292
     6          0.80927742         -2.47769656         -0.14723813
     6         -0.41786881         -0.15140609          0.08040782
     6          0.12047473          1.71930472         -1.68994411
     6          1.86242815          1.29147708         -3.61325982
     6          3.08052437         -1.02221775         -3.81064219
     6         -2.28067951          0.26781541          2.22650307
     7         -3.53850372          2.72350695          2.00979222
     6         -1.00691239         -0.12238757          4.80789847
     1         -2.31712068          4.13597487          2.45183943
     1         -3.76994216         -1.15498740          2.02586317
     1          0.49266060          1.27239073          5.07259673
     1         -0.16500461         -1.99494953          4.98796836
     1         -2.38650853          0.10758568          6.32565263
     1         -0.86785450          3.50307433         -1.59509886
     1          2.25297917          2.77345077         -4.96906539
     1          4.42973347         -1.35680704         -5.31103090
     1          3.45534572         -4.73780743         -2.21482921
     1          0.39850037         -3.97621185          1.18553158
     1         -4.97315233          2.82834855          3.27258364

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.579935D+00      0.147405D+01      0.491689D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.579935D+00      0.147405D+01      0.491689D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993087D+02      0.147160D+02      0.163738D+02
   aniso      0.531002D+02      0.786864D+01      0.875505D+01
   xx         0.900945D+02      0.133506D+02      0.148546D+02
   yx        -0.132642D+02     -0.196555D+01     -0.218697D+01
   yy         0.100341D+03      0.148689D+02      0.165439D+02
   zx        -0.258890D+02     -0.383636D+01     -0.426853D+01
   zy        -0.415201D+01     -0.615264D+00     -0.684573D+00
   zz         0.107491D+03      0.159285D+02      0.177229D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.106563D+03      0.157910D+02      0.175699D+02
   aniso      0.559482D+02      0.829067D+01      0.922462D+01
   xx         0.968273D+02      0.143483D+02      0.159647D+02
   yx        -0.141835D+02     -0.210178D+01     -0.233854D+01
   yy         0.106748D+03      0.158184D+02      0.176004D+02
   zx        -0.270903D+02     -0.401436D+01     -0.446658D+01
   zy        -0.391440D+01     -0.580054D+00     -0.645397D+00
   zz         0.116115D+03      0.172064D+02      0.191447D+02

 ----------------------------------------------------------------------
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 TIME IS IN FACT THE HERO OF THE PLOT. THE TIME
 WITH WHICH WE HAVE TO DEAL IS OF THE ORDER OF TWO
 BILLION YEARS...GIVEN SO MUCH TIME, THE "IMPOSSIBLE"
 BECOMES POSSIBLE, THE POSSIBLE PROBABLE, THE PROBABLE
 VIRTUALLY CERTAIN.  ONE HAS ONLY TO WAIT, TIME
 ITSELF PERFORMS THE MIRACLES.
 "ORIGIN OF LIFE" LECTURES, GEORGE WALD, 1954
 Job cpu time:       0 days  2 hours  1 minutes 44.1 seconds.
 Elapsed time:       0 days  0 hours 15 minutes 15.2 seconds.
 File lengths (MBytes):  RWF=    233 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:56:00 2021.
